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

Systemtic Name: 4-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanenitrile Openeye Name: 4-[1-(o-tolyl)tetrazol-5-yl]sulfanylbutanenitrile CAS Name: 4-[[1-(2-methylphenyl)-5-tetrazolyl]thio]butanenitrile IUPAC Name: 4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylbutanenitrile Traditional Name: 4-[[1-(o-tolyl)tetrazol-5-yl]thio]butyronitrile Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5S/c1-10-6-2-3-7-11(10)17-12(14-15-16-17)18-9-5-4-8-13/h2-3,6-7H,4-5,9H2,1H3