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

Systemtic Name: 5-chloranyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O3S/c1-8-5-12-14(6-9(8)2)24-16(18-12)19-15(21)11-7-10(17)3-4-13(11)20(22)23/h3-7H,1-2H3,(H,18,19,21)