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

Systemtic Name: 3-tert-butyl-4-[(Z)-(3-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(Z)-(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-3-tert-butyl-1H-1,2,4-triazole-5-thione CAS Name: 3-tert-butyl-4-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-tert-butyl-4-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(Z)-(4-benzoxy-3-methoxy-benzylidene)amino]-3-tert-butyl-1H-1,2,4-triazole-5-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

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