5-[(4-chlorophenyl)methyl]-2,2-dimethyl-4H-1,2,4-triazol-2-ium-3-thione

Systemtic Name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-4H-1,2,4-triazol-2-ium-3-thione Openeye Name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-4H-1,2,4-triazol-2-ium-3-thione CAS Name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-4H-1,2,4-triazol-2-ium-3-thione IUPAC Name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-4H-1,2,4-triazol-2-ium-3-thione Traditional Name: 5-(4-chlorobenzyl)-2,2-dimethyl-4H-1,2,4-triazol-2-ium-3-thione Formula: C11H13ClN3S+ MolecularWeight: 254.75902

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=S)NC(=N1)CC2=CC=C(C=C2)Cl)C

Isomeric SMILES

C[N+]1(C(=S)NC(=N1)CC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C11H12ClN3S/c1-15(2)11(16)13-10(14-15)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3/p+1