5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-chloranyl-aniline

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-chloranyl-aniline Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-chloro-aniline CAS Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-2-chloroaniline IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-chloroaniline Traditional Name: [5-[(1,3-benzoxazol-2-ylthio)methyl]-2-chloro-phenyl]amine Formula: C14H11ClN2OS MolecularWeight: 290.76794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C14H11ClN2OS/c15-10-6-5-9(7-11(10)16)8-19-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8,16H2