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

Systemtic Name: (2R)-2-ethanimidoyl-3-oxidanylidene-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: (2R)-2-ethanimidoyl-3-oxo-4-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-3-oxo-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: (2R)-2-ethanimidoyl-3-oxo-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: (2R)-2-acetimidoyl-3-keto-4-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C(C#N)C(=N)C)C2=CC=NC=C2

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)[C@@H](C#N)C(=N)C)C2=CC=NC=C2

InChI

InChI=1S/C16H18N6OS/c1-3-8-22-15(12-4-6-19-7-5-12)20-21-16(22)24-10-14(23)13(9-17)11(2)18/h4-7,13,18H,3,8,10H2,1-2H3/t13-/m0/s1