4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-N-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-N-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-N-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-6-methyl-N-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-N-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-N-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C27H21ClN6O3S MolecularWeight: 545.01204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21ClN6O3S/c1-16-23(26(35)30-19-11-13-21(14-12-19)34(36)37)25(31-27(38)29-16)22-15-33(20-5-3-2-4-6-20)32-24(22)17-7-9-18(28)10-8-17/h2-15,25H,1H3,(H,30,35)(H2,29,31,38)