1,5-dimethyl-4-[5-(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[5-(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[5-[2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanyltetrazol-1-yl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[5-[[2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]-1-tetrazolyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[5-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]-2-phenylpyrazol-3-one Traditional Name: 4-[5-[(2-keto-1-phenyl-2-piperidino-ethyl)thio]tetrazol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H27N7O2S MolecularWeight: 489.59258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SC(C4=CC=CC=C4)C(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SC(C4=CC=CC=C4)C(=O)N5CCCCC5

InChI

InChI=1S/C25H27N7O2S/c1-18-21(23(33)32(29(18)2)20-14-8-4-9-15-20)31-25(26-27-28-31)35-22(19-12-6-3-7-13-19)24(34)30-16-10-5-11-17-30/h3-4,6-9,12-15,22H,5,10-11,16-17H2,1-2H3