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

Systemtic Name: 4-[5-(cyclohexylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[5-(cyclohexylmethylsulfanyl)tetrazol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[5-(cyclohexylmethylthio)-1-tetrazolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[5-(cyclohexylmethylsulfanyl)tetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[5-(cyclohexylmethylthio)tetrazol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SCC4CCCCC4

InChI

InChI=1S/C19H24N6OS/c1-14-17(18(26)25(23(14)2)16-11-7-4-8-12-16)24-19(20-21-22-24)27-13-15-9-5-3-6-10-15/h4,7-8,11-12,15H,3,5-6,9-10,13H2,1-2H3