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

Systemtic Name: 5-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[1-(2,3-dimethylphenyl)-5-tetrazolyl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[1-(2,3-dimethylphenyl)tetrazol-5-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C21H19N7S MolecularWeight: 401.48746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=N2)SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C

InChI

InChI=1S/C21H19N7S/c1-14-8-7-11-19(15(14)2)28-21(23-25-26-28)29-13-20-18(12-22)16(3)24-27(20)17-9-5-4-6-10-17/h4-11H,13H2,1-3H3