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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C16H11N7O3S2 MolecularWeight: 413.43364

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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)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N7O3S2/c24-14(9-27-16-19-20-21-22(16)10-4-2-1-3-5-10)18-15-17-12-7-6-11(23(25)26)8-13(12)28-15/h1-8H,9H2,(H,17,18,24)