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

Systemtic Name: 1-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C

InChI

InChI=1S/C13H15N3OS/c1-9-5-4-6-11(7-9)12-14-15-13(16(12)3)18-8-10(2)17/h4-7H,8H2,1-3H3