1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC=NN2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC=NN2)OC

InChI

InChI=1S/C12H13N3O3S/c1-17-10-4-3-8(5-11(10)18-2)9(16)6-19-12-13-7-14-15-12/h3-5,7H,6H2,1-2H3,(H,13,14,15)