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

Systemtic Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H17N3OS/c1-13-7-6-10-16(11-13)21-14(2)19-20-18(21)23-12-17(22)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3