1-cyclohexyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-cyclohexyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-cyclohexyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-cyclohexyl-5-[[1-(3-nitrophenyl)-2-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-cyclohexyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-cyclohexyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CC3=CC=CN3C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CC3=CC=CN3C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C21H20N4O4S/c26-19-18(20(27)24(21(30)22-19)14-6-2-1-3-7-14)13-16-10-5-11-23(16)15-8-4-9-17(12-15)25(28)29/h4-5,8-14H,1-3,6-7H2,(H,22,26,30)