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

Systemtic Name: 2-chloranyl-5-[3-(3-methylthiophen-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 2-chloro-5-[3-(3-methyl-2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-[3-(3-methyl-2-thiophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-[3-(3-methylthiophen-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 2-chloro-5-[3-(3-methyl-2-thienyl)-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:

CC1=C(SC=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C14H10ClN3O2S2/c1-7-4-5-22-11(7)12-16-17-14(21)18(12)8-2-3-10(15)9(6-8)13(19)20/h2-6H,1H3,(H,17,21)(H,19,20)/p-1