3-[(3-bromophenyl)methyl]-6-chloranyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-[(3-bromophenyl)methyl]-6-chloranyl-1,3-benzothiazol-3-ium Openeye Name: 3-[(3-bromophenyl)methyl]-6-chloro-1,3-benzothiazol-3-ium CAS Name: 3-[(3-bromophenyl)methyl]-6-chloro-1,3-benzothiazol-3-ium IUPAC Name: 3-[(3-bromophenyl)methyl]-6-chloro-1,3-benzothiazol-3-ium Traditional Name: 3-(3-bromobenzyl)-6-chloro-1,3-benzothiazol-3-ium Formula: C14H10BrClNS+ MolecularWeight: 339.6579

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C[N+]2=CSC3=C2C=CC(=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Br)C[N+]2=CSC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C14H10BrClNS/c15-11-3-1-2-10(6-11)8-17-9-18-14-7-12(16)4-5-13(14)17/h1-7,9H,8H2/q+1