methyl 7-naphthalen-2-yl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate

Systemtic Name: methyl 7-naphthalen-2-yl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Openeye Name: methyl 7-(2-naphthyl)-1-phenyl-5-(2-thienyl)-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate CAS Name: 7-(2-naphthalenyl)-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid methyl ester IUPAC Name: methyl 7-naphthalen-2-yl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Traditional Name: 7-(2-naphthyl)-1-phenyl-5-(2-thienyl)-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid methyl ester Formula: C27H20N4O2S MolecularWeight: 464.5383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C2=NC(=CC(N12)C3=CC=CS3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=NN(C2=NC(=CC(N12)C3=CC=CS3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C27H20N4O2S/c1-33-26(32)25-29-31(21-10-3-2-4-11-21)27-28-22(17-23(30(25)27)24-12-7-15-34-24)20-14-13-18-8-5-6-9-19(18)16-20/h2-17,23H,1H3