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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H18N4O2S/c19-22-16(11-10-13-6-2-1-3-7-13)20-21-18(22)25-12-14-8-4-5-9-15(14)17(23)24/h1-9H,10-12,19H2,(H,23,24)/p-1