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

Systemtic Name: 4-(3-chlorophenyl)-5-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chlorophenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chlorophenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chlorophenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chlorophenyl)-5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazole-3-thiolate Formula: C16H10ClN4OS2- MolecularWeight: 373.8598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CC3=NN=C(N3C4=CC(=CC=C4)Cl)[S-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CC3=NN=C(N3C4=CC(=CC=C4)Cl)[S-]

InChI

InChI=1S/C16H11ClN4OS2/c17-10-4-3-5-11(8-10)21-14(18-19-15(21)23)9-20-12-6-1-2-7-13(12)24-16(20)22/h1-8H,9H2,(H,19,23)/p-1