2-[[5-[(2-fluoranylphenoxy)methyl]-4-heptyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[5-[(2-fluoranylphenoxy)methyl]-4-heptyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-heptyl-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-heptyl-1,2,4-triazol-3-yl]thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-heptyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-heptyl-1,2,4-triazol-3-yl]thio]-N-isopropyl-N-phenyl-acetamide Formula: C27H35FN4O2S MolecularWeight: 498.655803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C(C)C)COC3=CC=CC=C3F

Isomeric SMILES

CCCCCCCN1C(=NN=C1SCC(=O)N(C2=CC=CC=C2)C(C)C)COC3=CC=CC=C3F

InChI

InChI=1S/C27H35FN4O2S/c1-4-5-6-7-13-18-31-25(19-34-24-17-12-11-16-23(24)28)29-30-27(31)35-20-26(33)32(21(2)3)22-14-9-8-10-15-22/h8-12,14-17,21H,4-7,13,18-20H2,1-3H3