N-butyl-2-[[5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[5,7-dimethyl-6-(o-tolylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-butyl-2-[[5,7-dimethyl-6-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[5,7-dimethyl-6-(2-methylbenzyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN2C(=C(C(=NC2=N1)C)CC3=CC=CC=C3C)C

Isomeric SMILES

CCCCNC(=O)CSC1=NN2C(=C(C(=NC2=N1)C)CC3=CC=CC=C3C)C

InChI

InChI=1S/C21H27N5OS/c1-5-6-11-22-19(27)13-28-21-24-20-23-15(3)18(16(4)26(20)25-21)12-17-10-8-7-9-14(17)2/h7-10H,5-6,11-13H2,1-4H3,(H,22,27)