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

Systemtic Name: 2-ethanimidoyl-4-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[1-(p-tolyl)tetrazol-5-yl]thio]butyronitrile Formula: C14H14N6OS MolecularWeight: 314.36556

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6OS/c1-9-3-5-11(6-4-9)20-14(17-18-19-20)22-8-13(21)12(7-15)10(2)16/h3-6,12,16H,8H2,1-2H3