N-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(p-tolyl)pyrrolidine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(p-tolyl)pyrrolidine-1-carbothioamide Formula: C18H18ClFN2S MolecularWeight: 348.865323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCN(C2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2CCN(C2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H18ClFN2S/c1-12-2-4-13(5-3-12)14-8-9-22(11-14)18(23)21-15-6-7-17(20)16(19)10-15/h2-7,10,14H,8-9,11H2,1H3,(H,21,23)