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

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3CS2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3CS2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O3S2/c1-11-6-7-12(8-15(11)19(21)22)16(20)10-24-17-18-14-5-3-2-4-13(14)9-23-17/h2-8H,9-10H2,1H3