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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-4-(4-methylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-4-(p-tolyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-4-(4-methylphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-4-(4-methylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-4-(p-tolyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C16H14N5OS+ MolecularWeight: 324.38026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N

InChI

InChI=1S/C16H13N5OS/c1-7-2-4-8(5-3-7)10-9(6-17)14(19)21-16-11(10)12(18)13(23-16)15(20)22/h2-5H,18H2,1H3,(H2,19,21)(H2,20,22)/p+1