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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[(1-phenyl-5-tetrazolyl)thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-(1-phenyltetrazol-5-yl)sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(1-phenyltetrazol-5-yl)thio]butyronitrile Formula: C13H12N6OS MolecularWeight: 300.33898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C13H12N6OS/c1-9(15)11(7-14)12(20)8-21-13-16-17-18-19(13)10-5-3-2-4-6-10/h2-6,11,15H,8H2,1H3