3-(3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl)propanoic acid

Systemtic Name: 3-(3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl)propanoic acid Openeye Name: 3-(3-methyl-1-phenyl-5-thioxo-1,2,4-triazolidin-3-yl)propanoic acid CAS Name: 3-(3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl)propanoic acid IUPAC Name: 3-(3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl)propanoic acid Traditional Name: 3-(3-methyl-1-phenyl-5-thioxo-1,2,4-triazolidin-3-yl)propionic acid Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(NC(=S)N(N1)C2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CC1(NC(=S)N(N1)C2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C12H15N3O2S/c1-12(8-7-10(16)17)13-11(18)15(14-12)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,13,18)(H,16,17)