4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]benzamide Formula: C24H19N5OS2 MolecularWeight: 457.57056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NCC4=C(N=CC=C4)N5C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NCC4=C(N=CC=C4)N5C=CC=N5

InChI

InChI=1S/C24H19N5OS2/c30-23(26-15-19-5-3-12-25-22(19)29-14-4-13-27-29)18-10-8-17(9-11-18)16-31-24-28-20-6-1-2-7-21(20)32-24/h1-14H,15-16H2,(H,26,30)