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

Systemtic Name: 2-chloranyl-5-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: 2-chloro-5-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate CAS Name: 2-chloro-5-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate IUPAC Name: 2-chloro-5-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 2-chloro-5-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate Formula: C12H11ClN3O2S- MolecularWeight: 296.75264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1C2=CC(=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)C1=NNC(=S)N1C2=CC(=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C12H12ClN3O2S/c1-6(2)10-14-15-12(19)16(10)7-3-4-9(13)8(5-7)11(17)18/h3-6H,1-2H3,(H,15,19)(H,17,18)/p-1