N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-nitrobenzamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-nitro-benzamide Formula: C17H13N7O3S3 MolecularWeight: 459.52522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C17H13N7O3S3/c1-23-16(20-21-22-23)29-13-6-4-10(24(26)27)8-11(13)15(25)18-9-3-5-12-14(7-9)30-17(19-12)28-2/h3-8H,1-2H3,(H,18,25)