6-(4-chlorophenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-(4-chlorophenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(4-chlorophenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(4-chlorophenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(4-chlorophenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(4-chlorophenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O3S/c1-11-16(18(25)21-14-4-3-5-15(10-14)24(26)27)17(22-19(28)23(11)2)12-6-8-13(20)9-7-12/h3-10,17H,1-2H3,(H,21,25)(H,22,28)