2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-ethyl-pentan-1-ol

Systemtic Name: 2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-ethyl-pentan-1-ol Openeye Name: 2-amino-5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-ethyl-pentan-1-ol CAS Name: 2-amino-5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-ethyl-1-pentanol IUPAC Name: 2-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-ethylpentan-1-ol Traditional Name: 2-amino-5-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-ethyl-pentan-1-ol Formula: C26H30ClNO2S MolecularWeight: 456.0399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClNO2S/c1-2-26(28,19-29)15-7-10-21-13-14-24(17-25(21)27)31-23-12-6-11-22(16-23)30-18-20-8-4-3-5-9-20/h3-6,8-9,11-14,16-17,29H,2,7,10,15,18-19,28H2,1H3