ethyl 2,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboxylate Openeye Name: ethyl 2,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboxylate CAS Name: 2,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboxylate Traditional Name: 2,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pyrimidine-4-carboxylic acid ethyl ester Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=N1)C)SC2=NNC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=N1)C)SC2=NNC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H17N5O2S/c1-4-24-16(23)13-10(2)15(19-11(3)18-13)25-17-20-14(21-22-17)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,20,21,22)