4-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)butanoic acid

Systemtic Name: 4-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)butanoic acid Openeye Name: 4-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)butanoic acid CAS Name: 4-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)butanoic acid IUPAC Name: 4-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)butanoic acid Traditional Name: 4-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)butyric acid Formula: C6H10N4O2S MolecularWeight: 202.2342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC1=NNC(=S)N1N)CC(=O)O

Isomeric SMILES

C(CC1=NNC(=S)N1N)CC(=O)O

InChI

InChI=1S/C6H10N4O2S/c7-10-4(8-9-6(10)13)2-1-3-5(11)12/h1-3,7H2,(H,9,13)(H,11,12)