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

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-[3-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C24H22BrClN4O2S MolecularWeight: 545.87908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C=NN=C2SCC3=CC=C(C=C3)Cl)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C=NN=C2SCC3=CC=C(C=C3)Cl)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22BrClN4O2S/c1-31-22-12-19(11-21(25)23(22)32-14-17-5-3-2-4-6-17)13-28-30-16-27-29-24(30)33-15-18-7-9-20(26)10-8-18/h2-12,16,28H,13-15H2,1H3