1-(4-methoxy-3-methyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(4-methoxy-3-methyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(4-methoxy-3-methyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(4-methoxy-3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(4-methoxy-3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(4-methoxy-3-methyl-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CSC2=NC=NN2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CSC2=NC=NN2)OC

InChI

InChI=1S/C12H13N3O2S/c1-8-5-9(3-4-11(8)17-2)10(16)6-18-12-13-7-14-15-12/h3-5,7H,6H2,1-2H3,(H,13,14,15)