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

Systemtic Name: 1-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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