2-chloranyl-5-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 2-chloranyl-5-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: 2-chloro-5-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzoate IUPAC Name: 2-chloro-5-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 2-chloro-5-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C13H7ClN3O2S2- MolecularWeight: 336.79658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C13H8ClN3O2S2/c14-9-4-3-7(6-8(9)12(18)19)17-11(15-16-13(17)20)10-2-1-5-21-10/h1-6H,(H,16,20)(H,18,19)/p-1