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

Systemtic Name: N-(4-bromophenyl)-2-[[5-[[(4-methylphenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[5-(p-toluidinomethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18BrN5OS MolecularWeight: 432.33742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN5OS/c1-12-2-6-14(7-3-12)20-10-16-22-18(24-23-16)26-11-17(25)21-15-8-4-13(19)5-9-15/h2-9,20H,10-11H2,1H3,(H,21,25)(H,22,23,24)