4-(4-tert-butylphenyl)-3-(4,6-dimethoxypyrimidin-2-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-tert-butylphenyl)-3-(4,6-dimethoxypyrimidin-2-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-tert-butylphenyl)-3-(4,6-dimethoxypyrimidin-2-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-tert-butylphenyl)-3-(4,6-dimethoxy-2-pyrimidinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-tert-butylphenyl)-3-(4,6-dimethoxypyrimidin-2-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-tert-butylphenyl)-3-(4,6-dimethoxypyrimidin-2-yl)-1H-1,2,4-triazole-5-thione Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NNC2=S)C3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NNC2=S)C3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C18H21N5O2S/c1-18(2,3)11-6-8-12(9-7-11)23-16(21-22-17(23)26)15-19-13(24-4)10-14(20-15)25-5/h6-10H,1-5H3,(H,22,26)