N-(2-chloranyl-4,6-dimethyl-phenyl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C21H16ClFN4OS MolecularWeight: 426.894343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C21H16ClFN4OS/c1-12-9-13(2)18(16(22)10-12)24-21(28)19-25-20(17-7-4-8-29-17)27(26-19)15-6-3-5-14(23)11-15/h3-11H,1-2H3,(H,24,28)