5-(phenylcarbonyl)-2-[4-(pyridin-4-ylmethyl)phenyl]-1,2-thiazol-3-one

Systemtic Name: 5-(phenylcarbonyl)-2-[4-(pyridin-4-ylmethyl)phenyl]-1,2-thiazol-3-one Openeye Name: 5-benzoyl-2-[4-(4-pyridylmethyl)phenyl]isothiazol-3-one CAS Name: 5-benzoyl-2-[4-(pyridin-4-ylmethyl)phenyl]-3-isothiazolone IUPAC Name: 5-benzoyl-2-[4-(pyridin-4-ylmethyl)phenyl]-1,2-thiazol-3-one Traditional Name: 5-benzoyl-2-[4-(4-pyridylmethyl)phenyl]-4-isothiazolin-3-one Formula: C22H16N2O2S MolecularWeight: 372.43964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=O)N(S2)C3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=O)N(S2)C3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C22H16N2O2S/c25-21-15-20(22(26)18-4-2-1-3-5-18)27-24(21)19-8-6-16(7-9-19)14-17-10-12-23-13-11-17/h1-13,15H,14H2