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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-(p-tolylmethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-[(4-methylphenyl)methyl]-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(4-methylbenzyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C17H16N5OS+ MolecularWeight: 338.40684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N

InChI

InChI=1S/C17H15N5OS/c1-9-2-4-10(5-3-9)8-21-16(23)14-13(19)12-6-11(7-18)15(20)22-17(12)24-14/h2-6H,8,19H2,1H3,(H2,20,22)(H,21,23)/p+1