3-acetamido-3-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 3-acetamido-3-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-acetamido-3-(2-thienyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide CAS Name: 3-acetamido-3-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-acetamido-3-thiophen-2-yl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-acetamido-3-(2-thienyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propionamide Formula: C18H16F3N5O2S MolecularWeight: 423.41215

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2C=NC=N2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2C=NC=N2)C3=CC=CS3

InChI

InChI=1S/C18H16F3N5O2S/c1-11(27)24-14(16-3-2-6-29-16)8-17(28)25-13-7-12(18(19,20)21)4-5-15(13)26-10-22-9-23-26/h2-7,9-10,14H,8H2,1H3,(H,24,27)(H,25,28)