4-(4-methoxyphenyl)-5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-methoxyphenyl)-5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-methoxyphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-methoxyphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-methoxyphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C17H13N4O2S2- MolecularWeight: 369.44072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2[S-])CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2[S-])CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C17H14N4O2S2/c1-23-12-8-6-11(7-9-12)21-15(18-19-16(21)24)10-20-13-4-2-3-5-14(13)25-17(20)22/h2-9H,10H2,1H3,(H,19,24)/p-1