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

Systemtic Name: 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one Openeye Name: 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one CAS Name: 2-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl]-1H-quinazolin-4-one IUPAC Name: 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one Traditional Name: 2-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl]-1H-quinazolin-4-one Formula: C14H10N6OS MolecularWeight: 310.3338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN4C=CC=NC4=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN4C=CC=NC4=N3

InChI

InChI=1S/C14H10N6OS/c21-12-9-4-1-2-5-10(9)16-11(17-12)8-22-14-18-13-15-6-3-7-20(13)19-14/h1-7H,8H2,(H,16,17,21)