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

Systemtic Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CC=C)C2CCCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CC=C)C2CCCCC2

InChI

InChI=1S/C17H23N5OS/c1-3-9-22-16(13-7-5-4-6-8-13)20-21-17(22)24-11-15(23)14(10-18)12(2)19/h3,13-14,19H,1,4-9,11H2,2H3