[4-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl] benzoate

Systemtic Name: [4-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl] benzoate Openeye Name: [4-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl] benzoate CAS Name: benzoic acid [4-[2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl] ester IUPAC Name: [4-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl] benzoate Traditional Name: benzoic acid [4-[2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl] ester Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN2C(=CC=NC2=N1)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN2C(=CC=NC2=N1)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H14N4O2S/c1-26-19-21-18-20-12-11-16(23(18)22-19)13-7-9-15(10-8-13)25-17(24)14-5-3-2-4-6-14/h2-12H,1H3