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

Systemtic Name: 5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H11N4OS2- MolecularWeight: 339.41474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4OS2/c21-16-19(12-8-4-5-9-13(12)23-16)10-14-17-18-15(22)20(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,22)/p-1