2-(1-methylpyridin-4-ylidene)-3-oxidanylidene-4-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 2-(1-methylpyridin-4-ylidene)-3-oxidanylidene-4-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1-methyl-4-pyridylidene)-3-oxo-butanenitrile CAS Name: 2-(1-methyl-4-pyridinylidene)-3-oxo-4-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-(1-methylpyridin-4-ylidene)-3-oxobutanenitrile Traditional Name: 4-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-keto-2-(1-methyl-4-pyridylidene)butyronitrile Formula: C23H19N5OS2 MolecularWeight: 445.55986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C(C#N)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4)C=C1

Isomeric SMILES

CN1C=CC(=C(C#N)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4)C=C1

InChI

InChI=1S/C23H19N5OS2/c1-27-11-9-18(10-12-27)19(14-24)20(29)16-31-23-26-25-22(21-8-5-13-30-21)28(23)15-17-6-3-2-4-7-17/h2-13H,15-16H2,1H3