N-(4-bromanyl-2-fluoranyl-phenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C17H11BrFN3O3S2 MolecularWeight: 468.319943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C17H11BrFN3O3S2/c1-9-8-26-17(20-9)27-15-5-2-10(6-14(15)22(24)25)16(23)21-13-4-3-11(18)7-12(13)19/h2-8H,1H3,(H,21,23)