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

Systemtic Name: 4-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C17H15N4O2S- MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-11-4-2-3-5-14(11)15-19-20-17(21(15)18)24-10-12-6-8-13(9-7-12)16(22)23/h2-9H,10,18H2,1H3,(H,22,23)/p-1