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

Systemtic Name: 2-chloranyl-5-[5-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 2-chloro-5-[3-(2-thienylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-[5-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-[5-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 2-chloro-5-[3-(2-thenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C14H9ClN3O2S2- MolecularWeight: 350.82316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C14H10ClN3O2S2/c15-11-4-3-8(6-10(11)13(19)20)18-12(16-17-14(18)21)7-9-2-1-5-22-9/h1-6H,7H2,(H,17,21)(H,19,20)/p-1