4-[2-(3-methylsulfanylphenyl)piperidin-1-yl]-6-[3-(trifluoromethyl)-1-(triphenylmethyl)pyrazol-4-yl]quinoline

Systemtic Name: 4-[2-(3-methylsulfanylphenyl)piperidin-1-yl]-6-[3-(trifluoromethyl)-1-(triphenylmethyl)pyrazol-4-yl]quinoline Openeye Name: 4-[2-(3-methylsulfanylphenyl)-1-piperidyl]-6-[3-(trifluoromethyl)-1-trityl-pyrazol-4-yl]quinoline CAS Name: 4-[2-[3-(methylthio)phenyl]-1-piperidinyl]-6-[3-(trifluoromethyl)-1-(triphenylmethyl)-4-pyrazolyl]quinoline IUPAC Name: 4-[2-(3-methylsulfanylphenyl)piperidin-1-yl]-6-[3-(trifluoromethyl)-1-tritylpyrazol-4-yl]quinoline Traditional Name: 4-[2-[3-(methylthio)phenyl]piperidino]-6-[3-(trifluoromethyl)-1-trityl-pyrazol-4-yl]quinoline Formula: C44H37F3N4S MolecularWeight: 710.85159

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C2CCCCN2C3=C4C=C(C=CC4=NC=C3)C5=CN(N=C5C(F)(F)F)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CSC1=CC=CC(=C1)C2CCCCN2C3=C4C=C(C=CC4=NC=C3)C5=CN(N=C5C(F)(F)F)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H37F3N4S/c1-52-36-21-13-14-32(28-36)40-22-11-12-27-50(40)41-25-26-48-39-24-23-31(29-37(39)41)38-30-51(49-42(38)44(45,46)47)43(33-15-5-2-6-16-33,34-17-7-3-8-18-34)35-19-9-4-10-20-35/h2-10,13-21,23-26,28-30,40H,11-12,22,27H2,1H3