2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanenitrile Openeye Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylacetonitrile CAS Name: 2-[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]acetonitrile IUPAC Name: 2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetonitrile Traditional Name: 2-[(1-p-cumenyltetrazol-5-yl)thio]acetonitrile Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC#N

InChI

InChI=1S/C12H13N5S/c1-9(2)10-3-5-11(6-4-10)17-12(14-15-16-17)18-8-7-13/h3-6,9H,8H2,1-2H3