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

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylsulfanyl)acetamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylthio)acetamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N3O4S2/c1-10-3-5-12(6-4-10)25-9-15(21)18-17-19-16-13(24-2)7-11(20(22)23)8-14(16)26-17/h3-8H,9H2,1-2H3,(H,18,19,21)