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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5S/c1-10-4-6-11(7-5-10)17-12(14-15-16-17)18-9-3-2-8-13/h4-7H,2-3,9H2,1H3