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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C16H12N2O3S2 MolecularWeight: 344.40808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O3S2/c1-10-6-7-11(8-13(10)18(20)21)14(19)9-22-16-17-12-4-2-3-5-15(12)23-16/h2-8H,9H2,1H3