2-[2-azanyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]hexane-1,3-diol

Systemtic Name: 2-[2-azanyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]hexane-1,3-diol Openeye Name: 2-[2-amino-4-(3-benzyloxyphenyl)sulfanyl-phenyl]hexane-1,3-diol CAS Name: 2-[2-amino-4-[(3-phenylmethoxyphenyl)thio]phenyl]hexane-1,3-diol IUPAC Name: 2-[2-amino-4-(3-phenylmethoxyphenyl)sulfanylphenyl]hexane-1,3-diol Traditional Name: 2-[2-amino-4-[(3-benzoxyphenyl)thio]phenyl]hexane-1,3-diol Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CO)C1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)N)O

Isomeric SMILES

CCCC(C(CO)C1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)N)O

InChI

InChI=1S/C25H29NO3S/c1-2-7-25(28)23(16-27)22-13-12-21(15-24(22)26)30-20-11-6-10-19(14-20)29-17-18-8-4-3-5-9-18/h3-6,8-15,23,25,27-28H,2,7,16-17,26H2,1H3