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

Systemtic Name: 2-(1,3-diphenylpyrazol-4-yl)-3-(4-ethylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(1,3-diphenylpyrazol-4-yl)-3-(4-ethylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(1,3-diphenyl-4-pyrazolyl)-3-(4-ethylphenyl)-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(1,3-diphenylpyrazol-4-yl)-3-(4-ethylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(1,3-diphenylpyrazol-4-yl)-3-(4-ethylphenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C28H23N5OS MolecularWeight: 477.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=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/C28H23N5OS/c1-2-19-13-15-22(16-14-19)33-26(30-27(34)23(17-29)28(33)35)24-18-32(21-11-7-4-8-12-21)31-25(24)20-9-5-3-6-10-20/h3-16,18,26,35H,2H2,1H3,(H,30,34)