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

Systemtic Name: propan-2-yl 6-methyl-4-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopropyl 6-methyl-4-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-methyl-4-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O4S/c1-14(2)33-23(30)20-15(3)25-24(34)26-22(20)19-13-28(17-9-5-4-6-10-17)27-21(19)16-8-7-11-18(12-16)29(31)32/h4-14,22H,1-3H3,(H2,25,26,34)