4,6-dimethyl-2-oxidanylidene-5-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-oxidanylidene-5-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyridine-3-carbonitrile Openeye Name: 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-oxo-5-[[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-pyridine-3-carbonitrile IUPAC Name: 5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C24H21N5OS MolecularWeight: 427.52144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C)C#N

InChI

InChI=1S/C24H21N5OS/c1-16-20(13-25)23(30)26-17(2)21(16)15-31-24-28-27-22(19-11-7-4-8-12-19)29(24)14-18-9-5-3-6-10-18/h3-12H,14-15H2,1-2H3,(H,26,30)