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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C19H22N6OS/c1-14(21)16(12-20)17(26)13-27-19-23-22-18(24-10-6-3-7-11-24)25(19)15-8-4-2-5-9-15/h2,4-5,8-9,16,21H,3,6-7,10-11,13H2,1H3