N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-thiophen-2-yl]-4-nitro-benzamide

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-thiophen-2-yl]-4-nitro-benzamide Openeye Name: N-[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]-4-nitro-benzamide CAS Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-2-thiophenyl]-4-nitrobenzamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-4-nitrobenzamide Traditional Name: N-[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]-4-nitro-benzamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S/c1-4-14(2)16-5-7-17(8-6-16)21-15(3)30-23(20(21)13-24)25-22(27)18-9-11-19(12-10-18)26(28)29/h5-12,14H,4H2,1-3H3,(H,25,27)