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

Systemtic Name: propan-2-yl 6-methyl-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopropyl 6-methyl-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-methyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OC(C)C

InChI

InChI=1S/C22H22N4O2S2/c1-13(2)28-21(27)18-14(3)23-22(29)24-20(18)16-12-26(15-8-5-4-6-9-15)25-19(16)17-10-7-11-30-17/h4-13,20H,1-3H3,(H2,23,24,29)