2-[(1R)-1-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-(1H-1,2,4-triazol-5-ylthio)ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(1H-1,2,4-triazol-5-ylthio)ethyl]-1H-quinazolin-4-one Formula: C12H11N5OS MolecularWeight: 273.31364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=NN3

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=NN3

InChI

InChI=1S/C12H11N5OS/c1-7(19-12-13-6-14-17-12)10-15-9-5-3-2-4-8(9)11(18)16-10/h2-7H,1H3,(H,13,14,17)(H,15,16,18)/t7-/m1/s1