2-chloranyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-5-nitro-benzamide Formula: C15H10ClN3O3S2 MolecularWeight: 379.8412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H10ClN3O3S2/c1-23-9-3-5-12-13(7-9)24-15(17-12)18-14(20)10-6-8(19(21)22)2-4-11(10)16/h2-7H,1H3,(H,17,18,20)