N-[(E)-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: N-[(E)-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]ethanamide Openeye Name: N-[(E)-[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide CAS Name: N-[(E)-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide IUPAC Name: N-[(E)-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide Traditional Name: N-[(E)-[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide Formula: C25H22F3N5O3S MolecularWeight: 529.53409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=NNC(=O)CC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)/C=N/NC(=O)CC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C25H22F3N5O3S/c1-14-9-17(15(2)32(14)24-20(12-29)19-5-3-4-6-22(19)37-24)13-30-31-23(34)10-16-7-8-18(25(26,27)28)11-21(16)33(35)36/h7-9,11,13H,3-6,10H2,1-2H3,(H,31,34)/b30-13+