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

Systemtic Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-oxidanylidene-3-(4-propan-2-ylphenyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-isopropylphenyl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-6-oxo-3-(4-propan-2-ylphenyl)-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-oxo-3-(4-propan-2-ylphenyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-3-p-cumenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C30H27N5O2S MolecularWeight: 521.63268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C30H27N5O2S/c1-19(2)20-9-13-23(14-10-20)35-28(32-29(36)25(17-31)30(35)38)26-18-34(22-7-5-4-6-8-22)33-27(26)21-11-15-24(37-3)16-12-21/h4-16,18-19,28,38H,1-3H3,(H,32,36)