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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C12H11N5OS2 MolecularWeight: 305.37864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NNC(=N1)C2=CC=CS2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NNC(=N1)C2=CC=CS2

InChI

InChI=1S/C12H11N5OS2/c1-7(14)8(5-13)9(18)6-20-12-15-11(16-17-12)10-3-2-4-19-10/h2-4,8,14H,6H2,1H3,(H,15,16,17)