N-[2-(4-bromophenyl)sulfanylethyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-2H-benzotriazole-5-carboxamide Formula: C15H13BrN4OS MolecularWeight: 377.25892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)C2=CC3=NNN=C3C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)C2=CC3=NNN=C3C=C2)Br

InChI

InChI=1S/C15H13BrN4OS/c16-11-2-4-12(5-3-11)22-8-7-17-15(21)10-1-6-13-14(9-10)19-20-18-13/h1-6,9H,7-8H2,(H,17,21)(H,18,19,20)