N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-fluoro-phenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloro-4-fluorophenyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-fluorophenyl)sulfanylpropanamide Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-N-piperonyl-propionamide Formula: C17H15ClFNO3S MolecularWeight: 367.822303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H15ClFNO3S/c1-10(24-12-3-4-14(19)13(18)7-12)17(21)20-8-11-2-5-15-16(6-11)23-9-22-15/h2-7,10H,8-9H2,1H3,(H,20,21)