5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-methyl-5-nitro-1H-indol-3-yl)methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-methyl-5-nitro-1H-indol-3-yl)methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(NC4=C3C=C(C=C4)[N+](=O)[O-])C)C(=O)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(NC4=C3C=C(C=C4)[N+](=O)[O-])C)C(=O)NC2=S

InChI

InChI=1S/C21H16N4O4S/c1-11-3-5-13(6-4-11)24-20(27)17(19(26)23-21(24)30)10-15-12(2)22-18-8-7-14(25(28)29)9-16(15)18/h3-10,22H,1-2H3,(H,23,26,30)