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

Systemtic Name: N-[2-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=NN=C(N1C2=CC=CC=C2OC)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NCCC1=NN=C(N1C2=CC=CC=C2OC)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O3S/c1-14(27)23-12-11-20-24-25-21(26(20)17-5-3-4-6-19(17)29-2)30-13-18(28)15-7-9-16(22)10-8-15/h3-10H,11-13H2,1-2H3,(H,23,27)