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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c18-21-15(10-12-4-2-1-3-5-12)19-20-17(21)24-11-13-6-8-14(9-7-13)16(22)23/h1-9H,10-11,18H2,(H,22,23)/p-1