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

Systemtic Name: 6-(4-chloranyl-3-nitro-phenyl)-N,N-diethyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(4-chloro-3-nitro-phenyl)-N,N-diethyl-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(4-chloro-3-nitrophenyl)-N,N-diethyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(4-chloro-3-nitrophenyl)-N,N-diethyl-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(4-chloro-3-nitro-phenyl)-N,N-diethyl-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C22H23ClN4O3S/c1-4-25(5-2)21(28)19-14(3)26(16-9-7-6-8-10-16)22(31)24-20(19)15-11-12-17(23)18(13-15)27(29)30/h6-13,20H,4-5H2,1-3H3,(H,24,31)