N-(4-bromophenyl)-2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[5-(p-anisidinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H22BrN5O2S MolecularWeight: 524.43278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN5O2S/c1-32-21-13-11-18(12-14-21)26-15-22-28-29-24(30(22)20-5-3-2-4-6-20)33-16-23(31)27-19-9-7-17(25)8-10-19/h2-14,26H,15-16H2,1H3,(H,27,31)