2-[4-[(2S)-3-(1,3-benzoxazol-2-ylsulfanyl)-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2S)-3-(1,3-benzoxazol-2-ylsulfanyl)-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(2S)-3-(1,3-benzoxazol-2-ylsulfanyl)-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[(2S)-3-(1,3-benzoxazol-2-ylthio)-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(1,3-benzoxazol-2-ylsulfanyl)-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[(2S)-3-(1,3-benzoxazol-2-ylthio)-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC[C@H](COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C18H16N2O3S/c19-10-9-13-5-7-15(8-6-13)22-11-14(21)12-24-18-20-16-3-1-2-4-17(16)23-18/h1-8,14,21H,9,11-12H2/t14-/m0/s1