(4-methylphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone

Systemtic Name: (4-methylphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone Openeye Name: (5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-methylphenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone Traditional Name: [5-(methylthio)-3-phenyl-1,2,4-triazol-1-yl]-(p-tolyl)methanone Formula: C17H15N3OS MolecularWeight: 309.3855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)SC

InChI

InChI=1S/C17H15N3OS/c1-12-8-10-14(11-9-12)16(21)20-17(22-2)18-15(19-20)13-6-4-3-5-7-13/h3-11H,1-2H3