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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNN2C=NN=C2SCC3=CC=CC=C3F)OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNN2C=NN=C2SCC3=CC=CC=C3F)OCC=C

InChI

InChI=1S/C21H23FN4O2S/c1-3-11-28-19-10-9-16(12-20(19)27-4-2)13-24-26-15-23-25-21(26)29-14-17-7-5-6-8-18(17)22/h3,5-10,12,15,24H,1,4,11,13-14H2,2H3