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

Systemtic Name: 6-(4-chloranyl-3-nitro-phenyl)-N,N,4-trimethyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(4-chloro-3-nitro-phenyl)-N,N,4-trimethyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(4-chloro-3-nitrophenyl)-N,N,4-trimethyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(4-chloro-3-nitrophenyl)-N,N,4-trimethyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(4-chloro-3-nitro-phenyl)-N,N,4-trimethyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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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)N(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c1-12-6-5-7-15(10-12)25-13(2)18(20(27)24(3)4)19(23-21(25)30)14-8-9-16(22)17(11-14)26(28)29/h5-11,19H,1-4H3,(H,23,30)