5-methyl-2-(4-nitrophenyl)-N-pyridin-3-yl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-N-pyridin-3-yl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 5-methyl-2-(4-nitrophenyl)-N-(3-pyridyl)-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 5-methyl-2-(4-nitrophenyl)-N-(3-pyridinyl)-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 5-methyl-2-(4-nitrophenyl)-N-pyridin-3-yl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 5-methyl-2-(4-nitrophenyl)-N-(3-pyridyl)-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C22H17N7O3S MolecularWeight: 459.48048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)C(=O)NC5=CN=CC=C5

Isomeric SMILES

CC1=C(C(N2C(=N1)N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)C(=O)NC5=CN=CC=C5

InChI

InChI=1S/C22H17N7O3S/c1-13-18(21(30)25-15-4-2-10-23-12-15)19(17-5-3-11-33-17)28-22(24-13)26-20(27-28)14-6-8-16(9-7-14)29(31)32/h2-12,19H,1H3,(H,25,30)(H,24,26,27)