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

Systemtic Name: 4-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C19H23N5OS2 MolecularWeight: 401.54882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C19H23N5OS2/c1-13(21)16(11-20)17(25)12-27-19-23-22-18(10-15-8-5-9-26-15)24(19)14-6-3-2-4-7-14/h5,8-9,14,16,21H,2-4,6-7,10,12H2,1H3