3-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanenitrile Openeye Name: 3-[1-(o-tolyl)tetrazol-5-yl]sulfanylpropanenitrile CAS Name: 3-[[1-(2-methylphenyl)-5-tetrazolyl]thio]propanenitrile IUPAC Name: 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanenitrile Traditional Name: 3-[[1-(o-tolyl)tetrazol-5-yl]thio]propionitrile Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCCC#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCCC#N

InChI

InChI=1S/C11H11N5S/c1-9-5-2-3-6-10(9)16-11(13-14-15-16)17-8-4-7-12/h2-3,5-6H,4,8H2,1H3