2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenyl-ethanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenyl-acetamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)-2-phenylacetamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)-2-phenyl-acetamide Formula: C25H21FN4OS MolecularWeight: 444.523843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC(C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC(C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN4OS/c26-19-13-15-20(16-14-19)27-24(31)22(17-7-3-1-4-8-17)32-25-29-28-23(18-11-12-18)30(25)21-9-5-2-6-10-21/h1-10,13-16,18,22H,11-12H2,(H,27,31)