3-azanyl-N-(4-bromanyl-3-methyl-phenyl)-6-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3-azanyl-N-(4-bromanyl-3-methyl-phenyl)-6-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-N-(4-bromo-3-methyl-phenyl)-6-(2-thienyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-N-(4-bromo-3-methylphenyl)-6-thiophen-2-yl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-N-(4-bromo-3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-N-(4-bromo-3-methyl-phenyl)-6-(2-thienyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C19H15BrN3OS2+ MolecularWeight: 445.3759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3)C4=CC=CS4)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C=C3)C4=CC=CS4)N)Br

InChI

InChI=1S/C19H14BrN3OS2/c1-10-9-11(4-6-13(10)20)22-18(24)17-16(21)12-5-7-14(23-19(12)26-17)15-3-2-8-25-15/h2-9H,21H2,1H3,(H,22,24)/p+1