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

Systemtic Name: N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-cyano-4-(4-isobutylphenyl)-2-thienyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-cyano-4-[4-(2-methylpropyl)phenyl]-2-thiophenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-cyano-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-cyano-4-(4-isobutylphenyl)-2-thienyl]-5-nitro-2-furamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c1-12(2)9-13-3-5-14(6-4-13)16-11-28-20(15(16)10-21)22-19(24)17-7-8-18(27-17)23(25)26/h3-8,11-12H,9H2,1-2H3,(H,22,24)