2-[(1R)-1-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C12H12N6OS MolecularWeight: 288.32828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NNC(=N3)N

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NNC(=N3)N

InChI

InChI=1S/C12H12N6OS/c1-6(20-12-16-11(13)17-18-12)9-14-8-5-3-2-4-7(8)10(19)15-9/h2-6H,1H3,(H,14,15,19)(H3,13,16,17,18)/t6-/m1/s1