3-chloranyl-2-(4-methylsulfinylphenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-chloranyl-2-(4-methylsulfinylphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-chloro-2-(4-methylsulfinylphenyl)-1H-1,2,4-triazol-5-one CAS Name: 3-chloro-2-(4-methylsulfinylphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-chloro-2-(4-methylsulfinylphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-chloro-2-(4-methylsulfinylphenyl)-1H-1,2,4-triazol-5-one Formula: C9H8ClN3O2S MolecularWeight: 257.69672

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)N2C(=NC(=O)N2)Cl

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)N2C(=NC(=O)N2)Cl

InChI

InChI=1S/C9H8ClN3O2S/c1-16(15)7-4-2-6(3-5-7)13-8(10)11-9(14)12-13/h2-5H,1H3,(H,12,14)