4-(4-chlorophenyl)benzoic acid; 1H-pyridine-2-thione

Systemtic Name: 4-(4-chlorophenyl)benzoic acid; 1H-pyridine-2-thione Openeye Name: 4-(4-chlorophenyl)benzoic acid; 1H-pyridine-2-thione CAS Name: 4-(4-chlorophenyl)benzoic acid; 1H-pyridine-2-thione IUPAC Name: 4-(4-chlorophenyl)benzoic acid; 1H-pyridine-2-thione Traditional Name: 4-(4-chlorophenyl)benzoic acid; 1H-pyridine-2-thione Formula: C18H14ClNO2S MolecularWeight: 343.82726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=S)NC=C1.C1=CC(=CC=C1C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=S)NC=C1.C1=CC(=CC=C1C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H9ClO2.C5H5NS/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16;7-5-3-1-2-4-6-5/h1-8H,(H,15,16);1-4H,(H,6,7)