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

Systemtic Name: 6-(4-chloranyl-3-nitro-phenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(4-chloro-3-nitro-phenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(4-chloro-3-nitrophenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(4-chloro-3-nitrophenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(4-chloro-3-nitro-phenyl)-3-(4-methoxyphenyl)-N,N,4-trimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N(C)C

InChI

InChI=1S/C21H21ClN4O4S/c1-12-18(20(27)24(2)3)19(13-5-10-16(22)17(11-13)26(28)29)23-21(31)25(12)14-6-8-15(30-4)9-7-14/h5-11,19H,1-4H3,(H,23,31)