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

Systemtic Name: 4-(2-methylphenyl)-5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(o-tolyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-methylphenyl)-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-(o-tolyl)-1,2,4-triazole-3-thiolate Formula: C17H13N4OS2- MolecularWeight: 353.44132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2[S-])CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2[S-])CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C17H14N4OS2/c1-11-6-2-3-7-12(11)21-15(18-19-16(21)23)10-20-13-8-4-5-9-14(13)24-17(20)22/h2-9H,10H2,1H3,(H,19,23)/p-1