3-naphthalen-1-yl-2-(4-nitrophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 3-naphthalen-1-yl-2-(4-nitrophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(1-naphthyl)-2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(1-naphthalenyl)-2-(4-nitrophenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-naphthalen-1-yl-2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-(1-naphthyl)-2-(4-nitrophenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(NC(=O)C(=C3S)C#N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(NC(=O)C(=C3S)C#N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O3S/c22-12-17-20(26)23-19(14-8-10-15(11-9-14)25(27)28)24(21(17)29)18-7-3-5-13-4-1-2-6-16(13)18/h1-11,19,29H,(H,23,26)