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

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3OS/c1-8-3-4-9(2)10(5-8)11(16)6-17-12-13-7-14-15-12/h3-5,7H,6H2,1-2H3,(H,13,14,15)