4-(2,1,3-benzoxadiazol-4-yl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzofurazan-4-yl-3-p-anisyl-1H-1,2,4-triazole-5-thione Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC=CC4=NON=C43

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC=CC4=NON=C43

InChI

InChI=1S/C16H13N5O2S/c1-22-11-7-5-10(6-8-11)9-14-17-18-16(24)21(14)13-4-2-3-12-15(13)20-23-19-12/h2-8H,9H2,1H3,(H,18,24)