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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 1-(4-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione CAS Name: 1-(4-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyrrolidine-2,5-dione IUPAC Name: 1-(4-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione Traditional Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S/c1-2-27-15-10-8-14(9-11-15)24-17(25)12-16(19(24)26)28-20-21-18(22-23-20)13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,21,22,23)