3-[(S)-(4-chlorophenyl)-[3-[(1S)-2-fluoranyl-1-(3-fluoranyl-5-propan-2-ylsulfanyl-phenyl)-2-methyl-propyl]azetidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[(S)-(4-chlorophenyl)-[3-[(1S)-2-fluoranyl-1-(3-fluoranyl-5-propan-2-ylsulfanyl-phenyl)-2-methyl-propyl]azetidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(S)-(4-chlorophenyl)-[3-[(1S)-2-fluoro-1-(3-fluoro-5-isopropylsulfanyl-phenyl)-2-methyl-propyl]azetidin-1-yl]methyl]benzonitrile CAS Name: 3-[(S)-(4-chlorophenyl)-[3-[(1S)-2-fluoro-1-[3-fluoro-5-(propan-2-ylthio)phenyl]-2-methylpropyl]-1-azetidinyl]methyl]benzonitrile IUPAC Name: 3-[(S)-(4-chlorophenyl)-[3-[(1S)-2-fluoro-1-(3-fluoro-5-propan-2-ylsulfanylphenyl)-2-methylpropyl]azetidin-1-yl]methyl]benzonitrile Traditional Name: 3-[(S)-(4-chlorophenyl)-[3-[(1S)-2-fluoro-1-[3-fluoro-5-(isopropylthio)phenyl]-2-methyl-propyl]azetidin-1-yl]methyl]benzonitrile Formula: C30H31ClF2N2S MolecularWeight: 525.095346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC(=CC(=C1)F)C(C2CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C#N)C(C)(C)F

Isomeric SMILES

CC(C)SC1=CC(=CC(=C1)F)[C@H](C2CN(C2)[C@@H](C3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C#N)C(C)(C)F

InChI

InChI=1S/C30H31ClF2N2S/c1-19(2)36-27-14-23(13-26(32)15-27)28(30(3,4)33)24-17-35(18-24)29(21-8-10-25(31)11-9-21)22-7-5-6-20(12-22)16-34/h5-15,19,24,28-29H,17-18H2,1-4H3/t28-,29+/m1/s1