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

Systemtic Name: 1,5-dimethyl-4-[5-(naphthalen-1-ylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[5-(1-naphthylmethylsulfanyl)tetrazol-1-yl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[5-(1-naphthalenylmethylthio)-1-tetrazolyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[5-(naphthalen-1-ylmethylsulfanyl)tetrazol-1-yl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[5-(1-naphthylmethylthio)tetrazol-1-yl]-2-phenyl-3-pyrazolin-3-one Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H20N6OS/c1-16-21(22(30)29(27(16)2)19-12-4-3-5-13-19)28-23(24-25-26-28)31-15-18-11-8-10-17-9-6-7-14-20(17)18/h3-14H,15H2,1-2H3