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

Systemtic Name: methyl 2-ethylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl 2-ethylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(ethylthio)-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-ethylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(ethylthio)-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid methyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=NC(=C(C(N2N1)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCSC1=NC2=NC(=C(C(N2N1)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C16H18N4O2S/c1-4-23-16-18-15-17-10(2)12(14(21)22-3)13(20(15)19-16)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3,(H,17,18,19)