2-chloranyl-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-5-nitro-benzamide Formula: C15H12ClN3O3S MolecularWeight: 349.79208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C15H12ClN3O3S/c1-3-10-8(2)23-15(12(10)7-17)18-14(20)11-6-9(19(21)22)4-5-13(11)16/h4-6H,3H2,1-2H3,(H,18,20)