2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-nitrophenoxy)phenyl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-nitrophenoxy)phenyl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-nitrophenoxy)phenyl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(4-nitrophenoxy)phenyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-nitrophenoxy)phenyl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(4-nitrophenoxy)phenyl]ethanone Formula: C21H14N2O4S2 MolecularWeight: 422.47686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O4S2/c24-19(13-28-21-22-18-3-1-2-4-20(18)29-21)14-5-9-16(10-6-14)27-17-11-7-15(8-12-17)23(25)26/h1-12H,13H2