4-(4-methoxyphenyl)-2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)sulfanyl]-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)thio]-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C29H22N4O2S MolecularWeight: 490.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C#N

InChI

InChI=1S/C29H22N4O2S/c1-19-27(29(34)33(32-19)22-11-7-4-8-12-22)36-28-25(18-30)24(20-13-15-23(35-2)16-14-20)17-26(31-28)21-9-5-3-6-10-21/h3-17,32H,1-2H3