1-[4-(4-methoxy-3-propan-2-ylsulfanyl-phenoxy)-3,5-dimethyl-phenyl]pyrrolidine

Systemtic Name: 1-[4-(4-methoxy-3-propan-2-ylsulfanyl-phenoxy)-3,5-dimethyl-phenyl]pyrrolidine Openeye Name: 1-[4-(3-isopropylsulfanyl-4-methoxy-phenoxy)-3,5-dimethyl-phenyl]pyrrolidine CAS Name: 1-[4-[4-methoxy-3-(propan-2-ylthio)phenoxy]-3,5-dimethylphenyl]pyrrolidine IUPAC Name: 1-[4-(4-methoxy-3-propan-2-ylsulfanylphenoxy)-3,5-dimethylphenyl]pyrrolidine Traditional Name: 1-[4-[3-(isopropylthio)-4-methoxy-phenoxy]-3,5-dimethyl-phenyl]pyrrolidine Formula: C22H29NO2S MolecularWeight: 371.53616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OC)SC(C)C)C)N3CCCC3

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)OC)SC(C)C)C)N3CCCC3

InChI

InChI=1S/C22H29NO2S/c1-15(2)26-21-14-19(8-9-20(21)24-5)25-22-16(3)12-18(13-17(22)4)23-10-6-7-11-23/h8-9,12-15H,6-7,10-11H2,1-5H3