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

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CC3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C17H17N5OS/c1-11(19)14(9-18)15(23)10-24-17-21-20-16(12-7-8-12)22(17)13-5-3-2-4-6-13/h2-6,12,14,19H,7-8,10H2,1H3