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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C(C)(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N\N2C(=NNC2=S)C(C)(C)C)OCC3=CC=CC=C3

InChI

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