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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCCC#N)C

InChI

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