2-ethanimidoyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C)C2=CC=NC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C)C2=CC=NC=C2

InChI

InChI=1S/C14H14N6OS/c1-9(16)11(7-15)12(21)8-22-14-19-18-13(20(14)2)10-3-5-17-6-4-10/h3-6,11,16H,8H2,1-2H3