1-(4-bromophenyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]butan-1-one Formula: C17H13BrN2O3S2 MolecularWeight: 437.33072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H13BrN2O3S2/c18-12-5-3-11(4-6-12)15(21)2-1-9-24-17-19-14-8-7-13(20(22)23)10-16(14)25-17/h3-8,10H,1-2,9H2