ethyl 5-acetamido-7-methylsulfanyl-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate

Systemtic Name: ethyl 5-acetamido-7-methylsulfanyl-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Openeye Name: ethyl 5-acetamido-7-methylsulfanyl-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate CAS Name: 5-acetamido-7-(methylthio)-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-7-methylsulfanyl-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Traditional Name: 5-acetamido-7-(methylthio)-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N2C1=NN=C2C3=CC=CC=C3)NC(=O)C)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N2C1=NN=C2C3=CC=CC=C3)NC(=O)C)SC

InChI

InChI=1S/C17H17N5O3S/c1-4-25-16(24)12-14-21-20-13(11-8-6-5-7-9-11)22(14)17(18-10(2)23)19-15(12)26-3/h5-9H,4H2,1-3H3,(H,18,19,23)