1-[3,5-dimethyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyrazol-1-yl]ethanone

Systemtic Name: 1-[3,5-dimethyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyrazol-1-yl]ethanone Openeye Name: 1-[3,5-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanyl-pyrazol-1-yl]ethanone CAS Name: 1-[3,5-dimethyl-4-[(1-phenyl-5-tetrazolyl)thio]-1-pyrazolyl]ethanone IUPAC Name: 1-[3,5-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazol-1-yl]ethanone Traditional Name: 1-[3,5-dimethyl-4-[(1-phenyltetrazol-5-yl)thio]pyrazol-1-yl]ethanone Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C)C)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C)C)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C14H14N6OS/c1-9-13(10(2)19(16-9)11(3)21)22-14-15-17-18-20(14)12-7-5-4-6-8-12/h4-8H,1-3H3