6-(4-chloranyl-3-nitro-phenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-(4-chloranyl-3-nitro-phenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(4-chloro-3-nitro-phenyl)-4-methyl-N-(5-methylisoxazol-3-yl)-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(4-chloro-3-nitrophenyl)-4-methyl-N-(5-methyl-3-isoxazolyl)-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(4-chloro-3-nitrophenyl)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(4-chloro-3-nitro-phenyl)-4-methyl-N-(5-methylisoxazol-3-yl)-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C23H20ClN5O4S MolecularWeight: 497.954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NC4=NOC(=C4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NC4=NOC(=C4)C)C

InChI

InChI=1S/C23H20ClN5O4S/c1-12-5-4-6-16(9-12)28-14(3)20(22(30)25-19-10-13(2)33-27-19)21(26-23(28)34)15-7-8-17(24)18(11-15)29(31)32/h4-11,21H,1-3H3,(H,26,34)(H,25,27,30)