5-methyl-7-phenyl-2-propylsulfanyl-N-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-7-phenyl-2-propylsulfanyl-N-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 5-methyl-7-phenyl-2-propylsulfanyl-N-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 5-methyl-7-phenyl-2-(propylthio)-N-(3-pyridinyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 5-methyl-7-phenyl-2-propylsulfanyl-N-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 5-methyl-7-phenyl-2-(propylthio)-N-(3-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=CC=C3)C(=O)NC4=CN=CC=C4)C

Isomeric SMILES

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

InChI

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