[1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C21H29N3OS/c1-5-24-16(3)20(15(2)22-24)14-23-12-6-7-18(13-23)21(25)17-8-10-19(26-4)11-9-17/h8-11,18H,5-7,12-14H2,1-4H3