N-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C22H16N4OS2 MolecularWeight: 416.51864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16N4OS2/c27-22(23-13-20-24-17-9-4-5-10-18(17)29-20)16-14-26(15-7-2-1-3-8-15)25-21(16)19-11-6-12-28-19/h1-12,14H,13H2,(H,23,27)