1-(2,5-dimethylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O3S2/c1-10-3-4-11(2)13(7-10)15(20)9-23-17-18-14-6-5-12(19(21)22)8-16(14)24-17/h3-8H,9H2,1-2H3