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

Systemtic Name: N-(4-bromophenyl)-2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[5-(1-ethyl-3-indolyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H20BrN5OS MolecularWeight: 470.3854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN5OS/c1-3-27-12-17(16-6-4-5-7-18(16)27)20-24-25-21(26(20)2)29-13-19(28)23-15-10-8-14(22)9-11-15/h4-12H,3,13H2,1-2H3,(H,23,28)