N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-nitro-benzamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-nitro-benzamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-nitro-benzamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-4-nitrobenzamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-nitrobenzamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-nitro-benzamide Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H11N3O3S/c1-8-9(2)21-14(12(8)7-15)16-13(18)10-3-5-11(6-4-10)17(19)20/h3-6H,1-2H3,(H,16,18)