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

Systemtic Name: N-methyl-2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide Openeye Name: N-methyl-2-(2-thienyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide CAS Name: N-methyl-2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-4-quinolinecarboxamide IUPAC Name: N-methyl-2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide Traditional Name: N-methyl-2-(2-thienyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cinchoninamide Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H21N5OS/c1-17(18-9-11-19(12-10-18)30-16-26-15-27-30)29(2)25(31)21-14-23(24-8-5-13-32-24)28-22-7-4-3-6-20(21)22/h3-17H,1-2H3