N-(4-bromanyl-3-methyl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C16H12BrN3O3S2 MolecularWeight: 438.31878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O3S2/c1-9-6-10(2-4-12(9)17)18-15(21)8-24-16-19-13-5-3-11(20(22)23)7-14(13)25-16/h2-7H,8H2,1H3,(H,18,21)