5-[(4-chlorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[(4-chlorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[(4-chlorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[(4-chlorophenyl)methylthio]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[(4-chlorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[(4-chlorobenzyl)thio]methyl]-1H-1,2,4-triazol-3-olate Formula: C10H9ClN3OS- MolecularWeight: 254.71596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=NC(=NN2)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSCC2=NC(=NN2)[O-])Cl

InChI

InChI=1S/C10H10ClN3OS/c11-8-3-1-7(2-4-8)5-16-6-9-12-10(15)14-13-9/h1-4H,5-6H2,(H2,12,13,14,15)/p-1