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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]acetamide Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C)C3=CC=CC=C3

InChI

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