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

Systemtic Name: 5-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(1-tert-butyltetrazol-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=NN2C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=NN2C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C17H19N7S/c1-12-14(10-18)15(23(20-12)13-8-6-5-7-9-13)11-25-16-19-21-22-24(16)17(2,3)4/h5-9H,11H2,1-4H3