3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-pyrrolidine-2,5-dione

Systemtic Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: 1-phenyl-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrrolidine-2,5-dione CAS Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenylpyrrolidine-2,5-dione IUPAC Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione Traditional Name: 1-phenyl-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]pyrrolidine-2,5-quinone Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC3CC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SC3CC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C19H16N4O2S/c1-12-7-9-13(10-8-12)17-20-19(22-21-17)26-15-11-16(24)23(18(15)25)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,20,21,22)