N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[5-[(4-fluorophenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-[(4-fluorobenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C26H25FN4O2S MolecularWeight: 476.565703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H25FN4O2S/c1-33-23-13-9-21(10-14-23)25(32)28-17-24-29-30-26(34-18-20-7-11-22(27)12-8-20)31(24)16-15-19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H,28,32)