5-(4-chlorophenyl)-3-methyl-4-oxidanyl-2-(1,3,4-thiadiazol-2-ylamino)benzoic acid

Systemtic Name: 5-(4-chlorophenyl)-3-methyl-4-oxidanyl-2-(1,3,4-thiadiazol-2-ylamino)benzoic acid Openeye Name: 5-(4-chlorophenyl)-4-hydroxy-3-methyl-2-(1,3,4-thiadiazol-2-ylamino)benzoic acid CAS Name: 5-(4-chlorophenyl)-4-hydroxy-3-methyl-2-(1,3,4-thiadiazol-2-ylamino)benzoic acid IUPAC Name: 5-(4-chlorophenyl)-4-hydroxy-3-methyl-2-(1,3,4-thiadiazol-2-ylamino)benzoic acid Traditional Name: 5-(4-chlorophenyl)-4-hydroxy-3-methyl-2-(1,3,4-thiadiazol-2-ylamino)benzoic acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1NC2=NN=CS2)C(=O)O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC1=C(C(=CC(=C1NC2=NN=CS2)C(=O)O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C16H12ClN3O3S/c1-8-13(19-16-20-18-7-24-16)12(15(22)23)6-11(14(8)21)9-2-4-10(17)5-3-9/h2-7,21H,1H3,(H,19,20)(H,22,23)