5-methyl-N-phenyl-2-propylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-N-phenyl-2-propylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 5-methyl-N-phenyl-2-propylsulfanyl-7-(4-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-phenyl-2-(propylthio)-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 5-methyl-N-phenyl-2-propylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-phenyl-2-(propylthio)-7-(4-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=NC(=C(C(N2N1)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCCSC1=NC2=NC(=C(C(N2N1)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C21H22N6OS/c1-3-13-29-21-25-20-23-14(2)17(19(28)24-16-7-5-4-6-8-16)18(27(20)26-21)15-9-11-22-12-10-15/h4-12,18H,3,13H2,1-2H3,(H,24,28)(H,23,25,26)