2-azanyl-2-[2-[2-chloranyl-4-(4-phenylmethoxyphenyl)sulfanyl-phenyl]ethyl]pent-4-en-1-ol hydrochloride

Systemtic Name: 2-azanyl-2-[2-[2-chloranyl-4-(4-phenylmethoxyphenyl)sulfanyl-phenyl]ethyl]pent-4-en-1-ol hydrochloride Openeye Name: 2-amino-2-[2-[4-(4-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]ethyl]pent-4-en-1-ol hydrochloride CAS Name: 2-amino-2-[2-[2-chloro-4-[(4-phenylmethoxyphenyl)thio]phenyl]ethyl]-4-penten-1-ol hydrochloride IUPAC Name: 2-amino-2-[2-[2-chloro-4-(4-phenylmethoxyphenyl)sulfanylphenyl]ethyl]pent-4-en-1-ol hydrochloride Traditional Name: 2-amino-2-[2-[4-[(4-benzoxyphenyl)thio]-2-chloro-phenyl]ethyl]pent-4-en-1-ol hydrochloride Formula: C26H29Cl2NO2S MolecularWeight: 490.48496

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CCC1=C(C=C(C=C1)SC2=CC=C(C=C2)OCC3=CC=CC=C3)Cl)(CO)N.Cl

Isomeric SMILES

C=CCC(CCC1=C(C=C(C=C1)SC2=CC=C(C=C2)OCC3=CC=CC=C3)Cl)(CO)N.Cl

InChI

InChI=1S/C26H28ClNO2S.ClH/c1-2-15-26(28,19-29)16-14-21-8-11-24(17-25(21)27)31-23-12-9-22(10-13-23)30-18-20-6-4-3-5-7-20;/h2-13,17,29H,1,14-16,18-19,28H2;1H