2-[[4-azanyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 2-[[4-azanyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 2-[[4-amino-5-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 2-[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[4-amino-5-(4-methylbenzyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C18H17N4O2S- MolecularWeight: 353.41818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H18N4O2S/c1-12-6-8-13(9-7-12)10-16-20-21-18(22(16)19)25-11-14-4-2-3-5-15(14)17(23)24/h2-9H,10-11,19H2,1H3,(H,23,24)/p-1