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

Systemtic Name: 3-methyl-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-[[(1-methyltetrazol-5-yl)thio]methyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C14H13N7S MolecularWeight: 311.36492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N7S/c1-10-12(8-15)13(9-22-14-16-18-19-20(14)2)21(17-10)11-6-4-3-5-7-11/h3-7H,9H2,1-2H3