N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-nitro-benzamide

Systemtic Name: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-nitro-benzamide Openeye Name: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-nitro-benzamide CAS Name: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-nitrobenzamide IUPAC Name: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-nitrobenzamide Traditional Name: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-nitro-benzamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N)CC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3S/c23-12-19-18-10-11-25(13-15-4-2-1-3-5-15)14-20(18)30-22(19)24-21(27)16-6-8-17(9-7-16)26(28)29/h1-9H,10-11,13-14H2,(H,24,27)