2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-bromanyl-aniline

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-bromanyl-aniline Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-bromo-aniline CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-bromoaniline IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-bromoaniline Traditional Name: [2-[(1,3-benzothiazol-2-ylthio)methyl]-3-bromo-phenyl]amine Formula: C14H11BrN2S2 MolecularWeight: 351.28454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C=CC=C3Br)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=C(C=CC=C3Br)N

InChI

InChI=1S/C14H11BrN2S2/c15-10-4-3-5-11(16)9(10)8-18-14-17-12-6-1-2-7-13(12)19-14/h1-7H,8,16H2