N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C17H11N3O3S3 MolecularWeight: 401.48254

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O3S3/c1-24-12-3-2-4-13-15(12)18-17(26-13)19-16(21)14-8-9-7-10(20(22)23)5-6-11(9)25-14/h2-8H,1H3,(H,18,19,21)