N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-6-pyrazol-1-yl-pyridine-3-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-6-pyrazol-1-yl-pyridine-3-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-6-pyrazol-1-yl-pyridine-3-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-6-(1-pyrazolyl)-3-pyridinecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-6-pyrazol-1-ylpyridine-3-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-nicotinamide Formula: C23H21N5OS2 MolecularWeight: 447.57574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H21N5OS2/c1-2-3-4-5-6-14-30-23-27-19-10-9-18(15-20(19)31-23)26-22(29)17-8-11-21(24-16-17)28-13-7-12-25-28/h7-13,15-16H,2-3,6,14H2,1H3,(H,26,29)