2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide Openeye Name: 2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-N-(2-thienylmethyl)prop-2-enamide CAS Name: 2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)-3-pyrrolyl]-N-(thiophen-2-ylmethyl)-2-propenamide IUPAC Name: 2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide Traditional Name: 2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-N-(2-thenyl)acrylamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=C(C#N)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=C(C#N)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H18N4O3S/c1-14-10-16(11-17(12-22)21(26)23-13-20-4-3-9-29-20)15(2)24(14)18-5-7-19(8-6-18)25(27)28/h3-11H,13H2,1-2H3,(H,23,26)