4-[3-[(2-methylphenyl)methylsulfanylmethyl]-5-sulfanidyl-1,2,4-triazol-4-yl]benzoate

Systemtic Name: 4-[3-[(2-methylphenyl)methylsulfanylmethyl]-5-sulfanidyl-1,2,4-triazol-4-yl]benzoate Openeye Name: 4-[3-(o-tolylmethylsulfanylmethyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate CAS Name: 4-[3-[[(2-methylphenyl)methylthio]methyl]-5-sulfido-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-[3-[(2-methylphenyl)methylsulfanylmethyl]-5-sulfido-1,2,4-triazol-4-yl]benzoate Traditional Name: 4-[3-[[(2-methylbenzyl)thio]methyl]-5-sulfido-1,2,4-triazol-4-yl]benzoate Formula: C18H15N3O2S2-2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=NN=C(N2C3=CC=C(C=C3)C(=O)[O-])[S-]

Isomeric SMILES

CC1=CC=CC=C1CSCC2=NN=C(N2C3=CC=C(C=C3)C(=O)[O-])[S-]

InChI

InChI=1S/C18H17N3O2S2/c1-12-4-2-3-5-14(12)10-25-11-16-19-20-18(24)21(16)15-8-6-13(7-9-15)17(22)23/h2-9H,10-11H2,1H3,(H,20,24)(H,22,23)/p-2