2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13N3O3S2/c1-10-6-7-11(19(21)22)8-13(10)17-15(20)9-23-16-18-12-4-2-3-5-14(12)24-16/h2-8H,9H2,1H3,(H,17,20)