3-[5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

Systemtic Name: 3-[5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide Openeye Name: 3-[5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide CAS Name: 3-[5-[(4-fluorophenyl)methylthio]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide IUPAC Name: 3-[5-[(4-fluorophenyl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide Traditional Name: 3-[5-[(4-fluorobenzyl)thio]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-N-o-anisyl-propionamide Formula: C27H27FN4O3S MolecularWeight: 506.591683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)CCC(=O)NCC4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)CCC(=O)NCC4=CC=CC=C4OC

InChI

InChI=1S/C27H27FN4O3S/c1-34-23-8-5-7-22(16-23)32-25(30-31-27(32)36-18-19-10-12-21(28)13-11-19)14-15-26(33)29-17-20-6-3-4-9-24(20)35-2/h3-13,16H,14-15,17-18H2,1-2H3,(H,29,33)