4-[5-[(6-chloranylpyridin-3-yl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[5-[(6-chloranylpyridin-3-yl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[5-[(6-chloro-3-pyridyl)methylsulfanyl]tetrazol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[5-[(6-chloro-3-pyridinyl)methylthio]-1-tetrazolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[5-[(6-chloropyridin-3-yl)methylsulfanyl]tetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[5-[(6-chloro-3-pyridyl)methylthio]tetrazol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C18H16ClN7OS MolecularWeight: 413.88394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CN=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CN=C(C=C4)Cl

InChI

InChI=1S/C18H16ClN7OS/c1-12-16(17(27)26(24(12)2)14-6-4-3-5-7-14)25-18(21-22-23-25)28-11-13-8-9-15(19)20-10-13/h3-10H,11H2,1-2H3