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

Systemtic Name: 3-(4-dimethylaminophenyl)-4-[(E)-(3-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-3-(4-dimethylaminophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-dimethylaminophenyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-dimethylaminophenyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-benzoxy-3-methoxy-benzylidene)amino]-3-(4-dimethylaminophenyl)-1H-1,2,4-triazole-5-thione Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H25N5O2S/c1-29(2)21-12-10-20(11-13-21)24-27-28-25(33)30(24)26-16-19-9-14-22(23(15-19)31-3)32-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,28,33)/b26-16+