N-[(E)-[1-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: N-[(E)-[1-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: N-[(E)-[1-(3-cyano-4,5-dimethyl-2-thienyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-[3-(trifluoromethyl)phenyl]acetamide CAS Name: N-[(E)-[1-(3-cyano-4,5-dimethyl-2-thiophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: N-[(E)-[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: N-[(E)-[1-(3-cyano-4,5-dimethyl-2-thienyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-[3-(trifluoromethyl)phenyl]acetamide Formula: C23H21F3N4OS MolecularWeight: 458.49925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=NNC(=O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)/C=N/NC(=O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H21F3N4OS/c1-13-8-18(15(3)30(13)22-20(11-27)14(2)16(4)32-22)12-28-29-21(31)10-17-6-5-7-19(9-17)23(24,25)26/h5-9,12H,10H2,1-4H3,(H,29,31)/b28-12+