(2R)-2-ethanimidoyl-3-oxidanylidene-4-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-3-oxidanylidene-4-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-3-oxo-4-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: (2R)-2-ethanimidoyl-3-oxo-4-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: (2R)-2-acetimidoyl-3-keto-4-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)C(C#N)C(=N)C)C3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)[C@@H](C#N)C(=N)C)C3=CN=CC=C3

InChI

InChI=1S/C22H22N6OS/c1-14(2)17-8-4-5-9-19(17)28-21(16-7-6-10-25-12-16)26-27-22(28)30-13-20(29)18(11-23)15(3)24/h4-10,12,14,18,24H,13H2,1-3H3/t18-/m0/s1