3,6-bis(azanyl)-4-(4-butoxyphenyl)-5-cyano-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-4-(4-butoxyphenyl)-5-cyano-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-4-(4-butoxyphenyl)-5-cyano-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-4-(4-butoxyphenyl)-5-cyano-N-phenyl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-4-(4-butoxyphenyl)-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-4-(4-butoxyphenyl)-5-cyano-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C25H24N5O2S+ MolecularWeight: 458.55536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)NC4=CC=CC=C4)N)N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)NC4=CC=CC=C4)N)N)C#N

InChI

InChI=1S/C25H23N5O2S/c1-2-3-13-32-17-11-9-15(10-12-17)19-18(14-26)23(28)30-25-20(19)21(27)22(33-25)24(31)29-16-7-5-4-6-8-16/h4-12H,2-3,13,27H2,1H3,(H2,28,30)(H,29,31)/p+1