2-[5-[2-[(4-bromanyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[5-[2-[(4-bromanyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[5-[2-(4-bromo-3-chloro-anilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[5-[[2-(4-bromo-3-chloroanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[5-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[5-[[2-(4-bromo-3-chloro-anilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide Formula: C21H21BrClN5O2S MolecularWeight: 522.84574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)Br)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)Br)Cl)C

InChI

InChI=1S/C21H21BrClN5O2S/c1-12-4-7-17(13(2)8-12)25-19(29)10-18-26-27-21(28(18)3)31-11-20(30)24-14-5-6-15(22)16(23)9-14/h4-9H,10-11H2,1-3H3,(H,24,30)(H,25,29)