methyl 5-methyl-2-phenyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-2-phenyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-2-phenyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-phenyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-phenyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-phenyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=C(N2)C3=CC=CC=C3)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=N1)N=C(N2)C3=CC=CC=C3)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C18H16N4O2S/c1-11-14(17(23)24-2)15(13-9-6-10-25-13)22-18(19-11)20-16(21-22)12-7-4-3-5-8-12/h3-10,15H,1-2H3,(H,19,20,21)