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

Systemtic Name: 4,6-dimethyl-5-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-5-[[5-(1-naphthylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-5-[[[5-(1-naphthalenylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 4,6-dimethyl-5-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-4,6-dimethyl-5-[[[5-(1-naphthylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-pyridine-3-carbonitrile Formula: C28H23N5OS MolecularWeight: 477.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54)C)C#N

InChI

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