N-(5-bromanylpyridin-2-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23BrN6OS MolecularWeight: 487.41592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=C(C=C3)Br)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=C(C=C3)Br)N4CCCCC4

InChI

InChI=1S/C21H23BrN6OS/c1-15-5-8-17(9-6-15)28-20(27-11-3-2-4-12-27)25-26-21(28)30-14-19(29)24-18-10-7-16(22)13-23-18/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,24,29)