2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylsulfanyl)acetamide CAS Name: 2-[(4-methylphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylthio)acetamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

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