3-(4-nitrophenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-nitrophenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(4-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-4-one CAS Name: 3-(4-nitrophenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-(4-nitrophenyl)quinazolin-4-one Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c25-18(22-11-3-4-12-22)13-29-20-21-17-6-2-1-5-16(17)19(26)23(20)14-7-9-15(10-8-14)24(27)28/h1-2,5-10H,3-4,11-13H2