N-[1-[3-[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]-2-methyl-propyl]benzamide

Systemtic Name: N-[1-[3-[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]-2-methyl-propyl]benzamide Openeye Name: N-[1-[3-[2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]-2-methyl-propyl]benzamide CAS Name: N-[1-[3-[[2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-yl]-2-methylpropyl]benzamide IUPAC Name: N-[1-[3-[2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-yl]-2-methylpropyl]benzamide Traditional Name: N-[1-[3-[[2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-yl]-2-methyl-propyl]benzamide Formula: C23H26BrN5O2S MolecularWeight: 516.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NNC(=N2)C(C(C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NNC(=N2)C(C(C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26BrN5O2S/c1-13(2)20(26-22(31)16-8-6-5-7-9-16)21-27-23(29-28-21)32-12-19(30)25-18-11-10-17(24)14(3)15(18)4/h5-11,13,20H,12H2,1-4H3,(H,25,30)(H,26,31)(H,27,28,29)