N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide Openeye Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide CAS Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-6-(1-pyrazolyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-6-pyrazol-1-ylpyridine-3-carboxamide Traditional Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-nicotinamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H19N5O3S2/c1-27-9-10-28-13-29-20-24-16-5-4-15(11-17(16)30-20)23-19(26)14-3-6-18(21-12-14)25-8-2-7-22-25/h2-8,11-12H,9-10,13H2,1H3,(H,23,26)