2-[(4-bromophenyl)methylsulfonylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-bromophenyl)methylsulfonylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-bromophenyl)methylsulfonylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(4-bromophenyl)methylsulfonylthio]-1,3-benzothiazole IUPAC Name: 2-[(4-bromophenyl)methylsulfonylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(4-bromobenzyl)sulfonylthio]-1,3-benzothiazole Formula: C14H10BrNO2S3 MolecularWeight: 400.3337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SS(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SS(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H10BrNO2S3/c15-11-7-5-10(6-8-11)9-21(17,18)20-14-16-12-3-1-2-4-13(12)19-14/h1-8H,9H2