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

Systemtic Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-[4-[[(cyclopropylamino)-oxomethyl]amino]phenyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C23H19FN6O2S MolecularWeight: 462.499363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=CC=C(C=C2)NC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC(=CC=C5)F

Isomeric SMILES

C1CC1NC(=O)NC2=CC=C(C=C2)NC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC(=CC=C5)F

InChI

InChI=1S/C23H19FN6O2S/c24-14-3-1-4-18(13-14)30-21(19-5-2-12-33-19)28-20(29-30)22(31)25-15-6-8-16(9-7-15)26-23(32)27-17-10-11-17/h1-9,12-13,17H,10-11H2,(H,25,31)(H2,26,27,32)