4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzamide Formula: C14H9N3O3S2 MolecularWeight: 331.36956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O3S2/c15-13(18)8-5-6-12(10(7-8)17(19)20)22-14-16-9-3-1-2-4-11(9)21-14/h1-7H,(H2,15,18)