N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methyleneamino]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylideneamino]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)amino]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H21FN4O3S MolecularWeight: 416.469143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])F)N3CCCC3

InChI

InChI=1S/C20H21FN4O3S/c1-14-10-19(24-8-2-3-9-24)18(21)11-15(14)12-22-23-20(26)13-29-17-6-4-16(5-7-17)25(27)28/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,23,26)