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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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