(2-methylsulfanylphenyl)-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonyl)piperidin-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonyl)piperidin-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3-piperidyl]methanone CAS Name: [2-(methylthio)phenyl]-[1-[oxo(4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]-3-piperidinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-3-piperidyl]methanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=NNC4=C3CCCC4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=NNC4=C3CCCC4

InChI

InChI=1S/C21H25N3O2S/c1-27-18-11-5-3-9-16(18)20(25)14-7-6-12-24(13-14)21(26)19-15-8-2-4-10-17(15)22-23-19/h3,5,9,11,14H,2,4,6-8,10,12-13H2,1H3,(H,22,23)