5-[bis(chloranyl)methyl]-3-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[bis(chloranyl)methyl]-3-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 5-(dichloromethyl)-3-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(dichloromethyl)-3-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 5-(dichloromethyl)-3-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 5-(dichloromethyl)-3-(p-tolyl)-1H-1,2,4-triazole Formula: C10H9Cl2N3 MolecularWeight: 242.10456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=N2)C(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=N2)C(Cl)Cl

InChI

InChI=1S/C10H9Cl2N3/c1-6-2-4-7(5-3-6)9-13-10(8(11)12)15-14-9/h2-5,8H,1H3,(H,13,14,15)