2-methoxy-4-[5-propan-2-ylsulfanyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]benzenecarbonitrile

Systemtic Name: 2-methoxy-4-[5-propan-2-ylsulfanyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]benzenecarbonitrile Openeye Name: 4-[5-isopropylsulfanyl-2-[4-(2-quinolylmethoxy)-1-piperidyl]phenyl]-2-methoxy-benzonitrile CAS Name: 2-methoxy-4-[5-(propan-2-ylthio)-2-[4-(2-quinolinylmethoxy)-1-piperidinyl]phenyl]benzonitrile IUPAC Name: 2-methoxy-4-[5-propan-2-ylsulfanyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]benzonitrile Traditional Name: 4-[5-(isopropylthio)-2-[4-(2-quinolylmethoxy)piperidino]phenyl]-2-methoxy-benzonitrile Formula: C32H33N3O2S MolecularWeight: 523.68832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC(=C(C=C1)N2CCC(CC2)OCC3=NC4=CC=CC=C4C=C3)C5=CC(=C(C=C5)C#N)OC

Isomeric SMILES

CC(C)SC1=CC(=C(C=C1)N2CCC(CC2)OCC3=NC4=CC=CC=C4C=C3)C5=CC(=C(C=C5)C#N)OC

InChI

InChI=1S/C32H33N3O2S/c1-22(2)38-28-12-13-31(29(19-28)24-8-9-25(20-33)32(18-24)36-3)35-16-14-27(15-17-35)37-21-26-11-10-23-6-4-5-7-30(23)34-26/h4-13,18-19,22,27H,14-17,21H2,1-3H3