N-[3-cyano-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-cyano-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-cyano-4-(4-isobutylphenyl)-5-methyl-2-thienyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-cyano-5-methyl-4-[4-(2-methylpropyl)phenyl]-2-thiophenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-cyano-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-cyano-4-(4-isobutylphenyl)-5-methyl-2-thienyl]-5-nitro-2-furamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C21H19N3O4S/c1-12(2)10-14-4-6-15(7-5-14)19-13(3)29-21(16(19)11-22)23-20(25)17-8-9-18(28-17)24(26)27/h4-9,12H,10H2,1-3H3,(H,23,25)