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

Systemtic Name: (2S)-2-ethanimidoyl-4-[5-(2-methylphenyl)-1,2,3,4-tetrazol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[5-(o-tolyl)tetrazol-2-yl]-3-oxo-butanenitrile CAS Name: (2S)-2-(1-iminoethyl)-4-[5-(2-methylphenyl)-2-tetrazolyl]-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[5-(2-methylphenyl)tetrazol-2-yl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-3-keto-4-[5-(o-tolyl)tetrazol-2-yl]butyronitrile Formula: C14H14N6O MolecularWeight: 282.30056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(N=N2)CC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN(N=N2)CC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C14H14N6O/c1-9-5-3-4-6-11(9)14-17-19-20(18-14)8-13(21)12(7-15)10(2)16/h3-6,12,16H,8H2,1-2H3/t12-/m1/s1