1,5-dimethyl-4-[5-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[5-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-2-phenyl-pyrazol-3-one Openeye Name: 4-[5-(2-hydroxy-3-phenoxy-propyl)sulfanyltetrazol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[5-[(2-hydroxy-3-phenoxypropyl)thio]-1-tetrazolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[5-(2-hydroxy-3-phenoxypropyl)sulfanyltetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[5-[(2-hydroxy-3-phenoxy-propyl)thio]tetrazol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC(COC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C21H22N6O3S/c1-15-19(20(29)27(25(15)2)16-9-5-3-6-10-16)26-21(22-23-24-26)31-14-17(28)13-30-18-11-7-4-8-12-18/h3-12,17,28H,13-14H2,1-2H3