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

Systemtic Name: 2-azanyl-2-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]propyl]pent-4-yn-1-ol Openeye Name: 2-amino-2-[3-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]propyl]pent-4-yn-1-ol CAS Name: 2-amino-2-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]propyl]-4-pentyn-1-ol IUPAC Name: 2-amino-2-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]propyl]pent-4-yn-1-ol Traditional Name: 2-amino-2-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]pent-4-yn-1-ol Formula: C27H28ClNO2S MolecularWeight: 466.03472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClNO2S/c1-2-15-27(29,20-30)16-7-10-22-13-14-25(18-26(22)28)32-24-12-6-11-23(17-24)31-19-21-8-4-3-5-9-21/h1,3-6,8-9,11-14,17-18,30H,7,10,15-16,19-20,29H2