2-[5-oxidanylidene-3-(phenylmethylsulfanyl)-2H-1,2,4-triazin-6-yl]ethanoic acid

Systemtic Name: 2-[5-oxidanylidene-3-(phenylmethylsulfanyl)-2H-1,2,4-triazin-6-yl]ethanoic acid Openeye Name: 2-(3-benzylsulfanyl-5-oxo-2H-1,2,4-triazin-6-yl)acetic acid CAS Name: 2-[5-oxo-3-(phenylmethylthio)-2H-1,2,4-triazin-6-yl]acetic acid IUPAC Name: 2-(3-benzylsulfanyl-5-oxo-2H-1,2,4-triazin-6-yl)acetic acid Traditional Name: 2-[3-(benzylthio)-5-keto-2H-1,2,4-triazin-6-yl]acetic acid Formula: C12H11N3O3S MolecularWeight: 277.29904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)CC(=O)O

InChI

InChI=1S/C12H11N3O3S/c16-10(17)6-9-11(18)13-12(15-14-9)19-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17)(H,13,15,18)