(E)-3-azanyl-2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]pent-2-en-1-ol

Systemtic Name: (E)-3-azanyl-2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]pent-2-en-1-ol Openeye Name: (E)-3-amino-2-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]pent-2-en-1-ol CAS Name: (E)-3-amino-2-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propyl]-2-penten-1-ol IUPAC Name: (E)-3-amino-2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]pent-2-en-1-ol Traditional Name: (E)-3-amino-2-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]pent-2-en-1-ol Formula: C27H30ClNO2S MolecularWeight: 468.0506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)CO)N

Isomeric SMILES

CC/C(=C(/CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)\CO)/N

InChI

InChI=1S/C27H30ClNO2S/c1-2-27(29)22(18-30)11-6-10-21-14-15-25(17-26(21)28)32-24-13-7-12-23(16-24)31-19-20-8-4-3-5-9-20/h3-5,7-9,12-17,30H,2,6,10-11,18-19,29H2,1H3/b27-22+