1-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetone Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C

InChI

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