N,N-dimethylmethanamide; (phenylmethyl) 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: N,N-dimethylmethanamide; (phenylmethyl) 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate; N,N-dimethylformamide CAS Name: 4-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester; N,N-dimethylformamide IUPAC Name: benzyl 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate; N,N-dimethylformamide Traditional Name: 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester; N,N-dimethylformamide Formula: C31H30ClN5O3S MolecularWeight: 588.1196

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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)OCC5=CC=CC=C5.CN(C)C=O

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5.CN(C)C=O

InChI

InChI=1S/C28H23ClN4O2S.C3H7NO/c1-18-24(27(34)35-17-19-8-4-2-5-9-19)26(31-28(36)30-18)23-16-33(22-10-6-3-7-11-22)32-25(23)20-12-14-21(29)15-13-20;1-4(2)3-5/h2-16,26H,17H2,1H3,(H2,30,31,36);3H,1-2H3