4-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-butane-1,3-diol

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-butane-1,3-diol Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-butane-1,3-diol CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-phenylbutane-1,3-diol IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylbutane-1,3-diol Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-phenyl-butane-1,3-diol Formula: C17H17NO2S2 MolecularWeight: 331.45238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CSC2=NC3=CC=CC=C3S2)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(CSC2=NC3=CC=CC=C3S2)O)O

InChI

InChI=1S/C17H17NO2S2/c19-13(10-15(20)12-6-2-1-3-7-12)11-21-17-18-14-8-4-5-9-16(14)22-17/h1-9,13,15,19-20H,10-11H2