2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-oxo-3-(p-tolyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(4-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-3-(p-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C28H23N5O2S MolecularWeight: 493.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C28H23N5O2S/c1-18-8-12-21(13-9-18)33-26(30-27(34)23(16-29)28(33)36)24-17-32(20-6-4-3-5-7-20)31-25(24)19-10-14-22(35-2)15-11-19/h3-15,17,26,36H,1-2H3,(H,30,34)