3-azanyl-N-(2-ethylsulfanylphenyl)-6-pyridin-4-yl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-N-(2-ethylsulfanylphenyl)-6-pyridin-4-yl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-N-(2-ethylsulfanylphenyl)-6-(4-pyridyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-N-[2-(ethylthio)phenyl]-6-pyridin-4-yl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-N-(2-ethylsulfanylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-N-[2-(ethylthio)phenyl]-6-(4-pyridyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N

InChI

InChI=1S/C21H18N4OS2/c1-2-27-17-6-4-3-5-16(17)24-20(26)19-18(22)14-7-8-15(25-21(14)28-19)13-9-11-23-12-10-13/h3-12H,2,22H2,1H3,(H,24,26)