2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone (Q27203589)

SMR000116536 (English)

11 October 2016

chemical formula

C₁₈H₁₅FN₆OS

1 reference

SMR000116536 (English)

11 October 2016

canonical SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2F)CN3C4=CC=CC=C4N=N3

1 reference

SMR000116536 (English)

InChI=1S/C18H15FN6OS/c1-24-17(10-25-15-9-5-4-8-14(15)20-23-25)21-22-18(24)27-11-16(26)12-6-2-3-7-13(12)19/h2-9H,10-11H2,1H3

11 October 2016

Identifiers

InChI

1 reference

SMR000116536 (English)

VUDHFUHPZLIZAW-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

SMR000116536 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-(5-Benzotriazol-1-ylmethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-(2-fluoro-phenyl)-ethanone (English)

11 October 2016

2 references

SMR000116536 (English)

matched by identifier from

11 October 2016

InChIKey

VUDHFUHPZLIZAW-UHFFFAOYSA-N

ChEBI ID

116970

mapping relation type

2 references

2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H15FN6OS/c1-24-17(10-25-15-9-5-4-8-14(15)20-23-25)21-22-18(24)27-11-16(26)12-6-2-3-7-13(12)19/h2-9H,10-11H2,1H3

1 reference