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

Systemtic Name: 2-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[5-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[5-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)acetamide Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN5O2S/c1-13-4-9-17(14(2)10-13)24-19(28)11-18-25-26-21(27(18)3)30-12-20(29)23-16-7-5-15(22)6-8-16/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)