5-methyl-2-phenyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-2-phenyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-2-phenyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]triazole-4-carboxamide CAS Name: 5-methyl-2-phenyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4-triazolecarboxamide IUPAC Name: 5-methyl-2-phenyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]triazole-4-carboxamide Traditional Name: 5-methyl-2-phenyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]triazole-4-carboxamide Formula: C22H16N4OS MolecularWeight: 384.45364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H16N4OS/c1-16-21(25-26(24-16)19-9-3-2-4-10-19)22(27)23-18-8-5-7-17(15-18)12-13-20-11-6-14-28-20/h2-11,14-15H,1H3,(H,23,27)