3-[(4-fluorophenyl)methylsulfanyl]-N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]-5-methyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-N-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl]-5-methyl-1,2,4-triazol-4-amine Openeye Name: N-[(4-allyloxy-3-methoxy-phenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine CAS Name: 3-[(4-fluorophenyl)methylthio]-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-5-methyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-5-methyl-1,2,4-triazol-4-amine Traditional Name: (4-allyloxy-3-methoxy-benzyl)-[3-[(4-fluorobenzyl)thio]-5-methyl-1,2,4-triazol-4-yl]amine Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NCC2=CC(=C(C=C2)OCC=C)OC)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN=C(N1NCC2=CC(=C(C=C2)OCC=C)OC)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O2S/c1-4-11-28-19-10-7-17(12-20(19)27-3)13-23-26-15(2)24-25-21(26)29-14-16-5-8-18(22)9-6-16/h4-10,12,23H,1,11,13-14H2,2-3H3