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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-4-(4-isopropylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-4-p-cumenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C18H18N5OS+ MolecularWeight: 352.43342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5OS/c1-8(2)9-3-5-10(6-4-9)12-11(7-19)16(21)23-18-13(12)14(20)15(25-18)17(22)24/h3-6,8H,20H2,1-2H3,(H2,21,23)(H2,22,24)/p+1