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

Systemtic Name: N-(2-bromophenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromophenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromophenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromophenyl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H20BrN5OS MolecularWeight: 494.4068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=CC=C3Br)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=CC=C3Br)C4=CC=NC=C4

InChI

InChI=1S/C23H20BrN5OS/c24-19-8-4-5-9-20(19)26-21(30)16-31-23-28-27-22(18-10-13-25-14-11-18)29(23)15-12-17-6-2-1-3-7-17/h1-11,13-14H,12,15-16H2,(H,26,30)