3-butyl-4-[(E)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-butyl-4-[(E)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]-3-butyl-1H-1,2,4-triazole-5-thione CAS Name: 3-butyl-4-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-butyl-4-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-benzoxy-3-ethoxy-benzylidene)amino]-3-butyl-1H-1,2,4-triazole-5-thione Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCCCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C22H26N4O2S/c1-3-5-11-21-24-25-22(29)26(21)23-15-18-12-13-19(20(14-18)27-4-2)28-16-17-9-7-6-8-10-17/h6-10,12-15H,3-5,11,16H2,1-2H3,(H,25,29)/b23-15+