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

Systemtic Name: 2-chloranyl-5-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: 2-chloro-5-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate CAS Name: 2-chloro-5-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate IUPAC Name: 2-chloro-5-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 2-chloro-5-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate Formula: C12H9ClN3O2S- MolecularWeight: 294.73676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1CC1C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C12H10ClN3O2S/c13-9-4-3-7(5-8(9)11(17)18)16-10(6-1-2-6)14-15-12(16)19/h3-6H,1-2H2,(H,15,19)(H,17,18)/p-1