(4S)-4-(4-chloranyl-3-nitro-phenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-4-(4-chloranyl-3-nitro-phenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-(4-chloro-3-nitro-phenyl)-6-methyl-N-(m-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(4-chloro-3-nitrophenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(4-chloro-3-nitrophenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-(4-chloro-3-nitro-phenyl)-6-methyl-N-(m-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(NC(=S)N[C@H]2C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C19H17ClN4O3S/c1-10-4-3-5-13(8-10)22-18(25)16-11(2)21-19(28)23-17(16)12-6-7-14(20)15(9-12)24(26)27/h3-9,17H,1-2H3,(H,22,25)(H2,21,23,28)/t17-/m0/s1