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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]ethanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-ethyl-N-(3-fluorobenzyl)acetamide Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23FN4OS/c1-2-26(14-16-7-6-8-18(23)13-16)20(28)15-29-22-24-21(17-11-12-17)27(25-22)19-9-4-3-5-10-19/h3-10,13,17H,2,11-12,14-15H2,1H3