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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C14H13N5OS MolecularWeight: 299.35092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H13N5OS/c1-9(16)11(7-15)12(20)8-21-14-17-13(18-19-14)10-5-3-2-4-6-10/h2-6,11,16H,8H2,1H3,(H,17,18,19)