2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C16H12N2O4S2 MolecularWeight: 360.40748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S2/c1-22-14-7-6-10(8-12(14)18(20)21)13(19)9-23-16-17-11-4-2-3-5-15(11)24-16/h2-8H,9H2,1H3