2-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-phenyl-5-[(2-pyrimidinylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-phenyl-5-[(2-pyrimidylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C16H12N6OS MolecularWeight: 336.37108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=NC(=CC(=O)N3N2)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=NC(=CC(=O)N3N2)CSC4=NC=CC=N4

InChI

InChI=1S/C16H12N6OS/c23-13-9-12(10-24-16-17-7-4-8-18-16)19-15-20-14(21-22(13)15)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20,21)