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

Systemtic Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-methoxy-3-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(3-benzyloxy-4-methoxy-phenyl)methyleneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(3-benzoxy-4-methoxy-benzylidene)amino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2S/c1-27(2,3)22-13-11-21(12-14-22)25-29-30-26(34)31(25)28-17-20-10-15-23(32-4)24(16-20)33-18-19-8-6-5-7-9-19/h5-17H,18H2,1-4H3,(H,30,34)/b28-17+