2-thiophen-2-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-thiophen-2-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-(2-thienyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-thiophen-2-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-thiophen-2-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-(2-thienyl)-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]cinchoninamide Formula: C24H19N5OS MolecularWeight: 425.50556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)CN5C=NC=N5

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)CN5C=NC=N5

InChI

InChI=1S/C24H19N5OS/c30-24(26-13-17-6-1-2-7-18(17)14-29-16-25-15-27-29)20-12-22(23-10-5-11-31-23)28-21-9-4-3-8-19(20)21/h1-12,15-16H,13-14H2,(H,26,30)