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

Systemtic Name: N-[(3-ethoxy-2-phenylmethoxy-phenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: N-[(2-benzyloxy-3-ethoxy-phenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: (2-benzoxy-3-ethoxy-benzyl)-[3-[(4-fluorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C25H25FN4O2S MolecularWeight: 464.555003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)CNN3C=NN=C3SCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)CNN3C=NN=C3SCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O2S/c1-2-31-23-10-6-9-21(24(23)32-16-19-7-4-3-5-8-19)15-28-30-18-27-29-25(30)33-17-20-11-13-22(26)14-12-20/h3-14,18,28H,2,15-17H2,1H3