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

Systemtic Name: 4-[(E)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]-3-isopropyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-propan-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-benzoxy-3-ethoxy-benzylidene)amino]-3-isopropyl-1H-1,2,4-triazole-5-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-4-26-19-12-17(13-22-25-20(15(2)3)23-24-21(25)28)10-11-18(19)27-14-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3,(H,24,28)/b22-13+