2-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]aniline

Systemtic Name: 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]aniline Openeye Name: 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]aniline CAS Name: 2-[3-(1,3-benzoxazol-2-ylthio)propoxy]aniline IUPAC Name: 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]aniline Traditional Name: [2-[3-(1,3-benzoxazol-2-ylthio)propoxy]phenyl]amine Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)OCCCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C(=C1)N)OCCCSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H16N2O2S/c17-12-6-1-3-8-14(12)19-10-5-11-21-16-18-13-7-2-4-9-15(13)20-16/h1-4,6-9H,5,10-11,17H2