N-(4-acetamido-3-chloranyl-phenyl)-3-[3,4-bis(fluoranyl)phenyl]sulfanyl-propanamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-3-[3,4-bis(fluoranyl)phenyl]sulfanyl-propanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-3-(3,4-difluorophenyl)sulfanyl-propanamide CAS Name: N-(4-acetamido-3-chlorophenyl)-3-[(3,4-difluorophenyl)thio]propanamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-3-(3,4-difluorophenyl)sulfanylpropanamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-3-[(3,4-difluorophenyl)thio]propionamide Formula: C17H15ClF2N2O2S MolecularWeight: 384.828006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CCSC2=CC(=C(C=C2)F)F)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CCSC2=CC(=C(C=C2)F)F)Cl

InChI

InChI=1S/C17H15ClF2N2O2S/c1-10(23)21-16-5-2-11(8-13(16)18)22-17(24)6-7-25-12-3-4-14(19)15(20)9-12/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,22,24)