4-[(2R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-3-(1,3-benzothiazol-2-ylthio)-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-(1,3-benzothiazol-2-ylthio)-2-hydroxy-propoxy]benzonitrile Formula: C17H14N2O2S2 MolecularWeight: 342.43526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC[C@@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C17H14N2O2S2/c18-9-12-5-7-14(8-6-12)21-10-13(20)11-22-17-19-15-3-1-2-4-16(15)23-17/h1-8,13,20H,10-11H2/t13-/m1/s1