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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H18N6OS/c1-14(22)17(10-21)18(27)13-28-20-25-24-19(16-8-5-9-23-11-16)26(20)12-15-6-3-2-4-7-15/h2-9,11,17,22H,12-13H2,1H3