4-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanenitrile Openeye Name: 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylbutanenitrile CAS Name: 4-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]butanenitrile IUPAC Name: 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylbutanenitrile Traditional Name: 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]butyronitrile Formula: C13H15N5S MolecularWeight: 273.3567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5S/c1-10-6-5-7-11(2)12(10)18-13(15-16-17-18)19-9-4-3-8-14/h5-7H,3-4,9H2,1-2H3