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

Systemtic Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-4-mercapto-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-keto-4-mercapto-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C26H18ClN5OS MolecularWeight: 483.97202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C4NC(=O)C(=C(N4C5=CC=CC=C5)S)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C4NC(=O)C(=C(N4C5=CC=CC=C5)S)C#N

InChI

InChI=1S/C26H18ClN5OS/c27-18-13-11-17(12-14-18)23-22(16-31(30-23)19-7-3-1-4-8-19)24-29-25(33)21(15-28)26(34)32(24)20-9-5-2-6-10-20/h1-14,16,24,34H,(H,29,33)