2-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[1-(2,3-dimethylphenyl)-5-tetrazolyl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[[1-(2,3-dimethylphenyl)tetrazol-5-yl]thio]methyl]indolizine-1-carbonitrile Formula: C19H16N6S MolecularWeight: 360.43554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC3=CN4C=CC=CC4=C3C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC3=CN4C=CC=CC4=C3C#N)C

InChI

InChI=1S/C19H16N6S/c1-13-6-5-8-17(14(13)2)25-19(21-22-23-25)26-12-15-11-24-9-4-3-7-18(24)16(15)10-20/h3-9,11H,12H2,1-2H3