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

Systemtic Name: methyl 4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S/c1-14-19(22(28)30-3)21(25-23(31)24-14)18-13-27(16-7-5-4-6-8-16)26-20(18)15-9-11-17(29-2)12-10-15/h4-13,21H,1-3H3,(H2,24,25,31)