4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C12H12N6O2S MolecularWeight: 304.32768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C12H12N6O2S/c13-11-15-12(17-16-11)21-6-10(20)18-5-9(19)14-7-3-1-2-4-8(7)18/h1-4H,5-6H2,(H,14,19)(H3,13,15,16,17)