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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-acetimidoyl-4-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CC=C)C2=CC=NC=C2

InChI

InChI=1S/C16H16N6OS/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/h3-7,13,18H,1,8,10H2,2H3