2-[(3-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butanamide

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butanamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butanamide CAS Name: 2-[(3-fluorophenyl)methylthio]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butanamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butanamide Traditional Name: 2-[(3-fluorobenzyl)thio]-4-(3-methoxyphenyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)butyramide Formula: C28H29FN4O2S MolecularWeight: 504.618863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(C(=O)N(CCC2=CC=CC=C2)C3=NC=NN3)SCC4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)CCC(C(=O)N(CCC2=CC=CC=C2)C3=NC=NN3)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C28H29FN4O2S/c1-35-25-12-6-9-22(18-25)13-14-26(36-19-23-10-5-11-24(29)17-23)27(34)33(28-30-20-31-32-28)16-15-21-7-3-2-4-8-21/h2-12,17-18,20,26H,13-16,19H2,1H3,(H,30,31,32)