2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-(4-phenylphenyl)ethanone Formula: C21H14N2O3S2 MolecularWeight: 406.47746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O3S2/c24-19(16-8-6-15(7-9-16)14-4-2-1-3-5-14)13-27-21-22-18-11-10-17(23(25)26)12-20(18)28-21/h1-12H,13H2