N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-[3-[(4-fluorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C25H24BrFN4O2S MolecularWeight: 543.451063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C=NN=C2SCC3=CC=C(C=C3)F)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C=NN=C2SCC3=CC=C(C=C3)F)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24BrFN4O2S/c1-2-32-23-13-20(12-22(26)24(23)33-15-18-6-4-3-5-7-18)14-29-31-17-28-30-25(31)34-16-19-8-10-21(27)11-9-19/h3-13,17,29H,2,14-16H2,1H3