2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(4-benzamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C19H18N4O3S MolecularWeight: 382.43622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3S/c1-12(18(25)26)27-19-22-21-16(23(19)2)13-8-10-15(11-9-13)20-17(24)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,24)(H,25,26)