N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C16H11BrN6OS2 MolecularWeight: 447.33214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C16H11BrN6OS2/c17-10-6-7-12-13(8-10)26-15(18-12)19-14(24)9-25-16-20-21-22-23(16)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19,24)