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

Systemtic Name: N-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromophenyl)-2-[[5-(4-methoxyphenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H23BrN4O3S MolecularWeight: 539.44412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H23BrN4O3S/c1-3-33-20-14-10-18(11-15-20)30-24(17-8-12-19(32-2)13-9-17)28-29-25(30)34-16-23(31)27-22-7-5-4-6-21(22)26/h4-15H,3,16H2,1-2H3,(H,27,31)