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

Systemtic Name: 2-[[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)iminomethyl]-6-nitro-phenolate CAS Name: 2-[[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)iminomethyl]-6-nitrophenolate Traditional Name: 2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)iminomethyl]-6-nitro-phenolate Formula: C22H17N4O3S- MolecularWeight: 417.46038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-])C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-])C#N)CC4=CC=CC=C4

InChI

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