5-chloranyl-4-[2-(hydroxymethyl)-6-methyl-phenyl]-2-methyl-1,2,4-triazol-3-one

Systemtic Name: 5-chloranyl-4-[2-(hydroxymethyl)-6-methyl-phenyl]-2-methyl-1,2,4-triazol-3-one Openeye Name: 5-chloro-4-[2-(hydroxymethyl)-6-methyl-phenyl]-2-methyl-1,2,4-triazol-3-one CAS Name: 5-chloro-4-[2-(hydroxymethyl)-6-methylphenyl]-2-methyl-1,2,4-triazol-3-one IUPAC Name: 5-chloro-4-[2-(hydroxymethyl)-6-methylphenyl]-2-methyl-1,2,4-triazol-3-one Traditional Name: 5-chloro-2-methyl-4-(2-methyl-6-methylol-phenyl)-1,2,4-triazol-3-one Formula: C11H12ClN3O2 MolecularWeight: 253.68488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CO)N2C(=NN(C2=O)C)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)CO)N2C(=NN(C2=O)C)Cl

InChI

InChI=1S/C11H12ClN3O2/c1-7-4-3-5-8(6-16)9(7)15-10(12)13-14(2)11(15)17/h3-5,16H,6H2,1-2H3