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

Systemtic Name: 3,6-bis(azanyl)-4-(4-chlorophenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-4-(4-chlorophenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-4-(4-chlorophenyl)-5-cyano-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-4-(4-chlorophenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-4-(4-chlorophenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C15H11ClN5OS+ MolecularWeight: 344.79874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N)Cl

InChI

InChI=1S/C15H10ClN5OS/c16-7-3-1-6(2-4-7)9-8(5-17)13(19)21-15-10(9)11(18)12(23-15)14(20)22/h1-4H,18H2,(H2,19,21)(H2,20,22)/p+1