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

Systemtic Name: 1,5-dimethyl-4-[5-(2-methylpropylsulfanyl)-1,2,3,4-tetrazol-1-yl]-2-phenyl-pyrazol-3-one Openeye Name: 4-(5-isobutylsulfanyltetrazol-1-yl)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[5-(2-methylpropylthio)-1-tetrazolyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[5-(2-methylpropylsulfanyl)tetrazol-1-yl]-2-phenylpyrazol-3-one Traditional Name: 4-[5-(isobutylthio)tetrazol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC(C)C

InChI

InChI=1S/C16H20N6OS/c1-11(2)10-24-16-17-18-19-21(16)14-12(3)20(4)22(15(14)23)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3