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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 1-(3,4-dimethylphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione CAS Name: 1-(3,4-dimethylphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyrrolidine-2,5-dione IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione Traditional Name: 1-(3,4-dimethylphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyrrolidine-2,5-quinone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NNC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NNC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H18N4O2S/c1-12-8-9-15(10-13(12)2)24-17(25)11-16(19(24)26)27-20-21-18(22-23-20)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,21,22,23)