1-phenyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-phenyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: 1-phenyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: 1-phenyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: 1-phenyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C25H21N7O2S MolecularWeight: 483.54494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4)N5C=CC=N5

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4)N5C=CC=N5

InChI

InChI=1S/C25H21N7O2S/c1-17(31-14-7-13-26-31)24(33)27-18-8-5-9-19(16-18)28-25(34)22-29-23(21-12-6-15-35-21)32(30-22)20-10-3-2-4-11-20/h2-17H,1H3,(H,27,33)(H,28,34)