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

Systemtic Name: 2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanenitrile Openeye Name: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanenitrile CAS Name: 2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]propanenitrile IUPAC Name: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanenitrile Traditional Name: 2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]propionitrile Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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