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

Systemtic Name: N-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromophenyl)-2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H20BrN5O2S MolecularWeight: 510.4062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN5O2S/c1-2-31-18-11-9-17(10-12-18)29-22(16-6-5-13-25-14-16)27-28-23(29)32-15-21(30)26-20-8-4-3-7-19(20)24/h3-14H,2,15H2,1H3,(H,26,30)