3-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(methylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(methylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C15H11N3O3S2 MolecularWeight: 345.39614

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3S2/c1-22-11-4-2-3-9(7-11)14(19)17-15-16-12-6-5-10(18(20)21)8-13(12)23-15/h2-8H,1H3,(H,16,17,19)