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

Systemtic Name: 4-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]-3-keto-butyronitrile Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)C(C#N)C(=N)C)C

InChI

InChI=1S/C15H16N6OS/c1-9-4-5-13(10(2)6-9)21-15(18-19-20-21)23-8-14(22)12(7-16)11(3)17/h4-6,12,17H,8H2,1-3H3