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

Systemtic Name: 3-methyl-5-[[1-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(1-isobutyltetrazol-5-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[[1-(2-methylpropyl)-5-tetrazolyl]thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(1-isobutyltetrazol-5-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C17H19N7S MolecularWeight: 353.44466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=NN2CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=NN2CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C17H19N7S/c1-12(2)10-23-17(19-21-22-23)25-11-16-15(9-18)13(3)20-24(16)14-7-5-4-6-8-14/h4-8,12H,10-11H2,1-3H3