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

Systemtic Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thiophenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]-5-nitro-2-furamide Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C19H15N3O4S/c1-3-12-4-6-13(7-5-12)17-11(2)27-19(14(17)10-20)21-18(23)15-8-9-16(26-15)22(24)25/h4-9H,3H2,1-2H3,(H,21,23)