2-(1,3-diphenylpyrazol-4-yl)-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-(1,3-diphenylpyrazol-4-yl)-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(1,3-diphenylpyrazol-4-yl)-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(1,3-diphenyl-4-pyrazolyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(1,3-diphenylpyrazol-4-yl)-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(1,3-diphenylpyrazol-4-yl)-6-keto-4-mercapto-3-(4-methoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C27H21N5O2S MolecularWeight: 479.55294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N5O2S/c1-34-21-14-12-20(13-15-21)32-25(29-26(33)22(16-28)27(32)35)23-17-31(19-10-6-3-7-11-19)30-24(23)18-8-4-2-5-9-18/h2-15,17,25,35H,1H3,(H,29,33)