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

Systemtic Name: 2-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 2-[[4-amino-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 2-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[4-amino-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C15H13N4O2S2- MolecularWeight: 345.41932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(N2N)CC3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(N2N)CC3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C15H14N4O2S2/c16-19-13(8-11-5-3-7-22-11)17-18-15(19)23-9-10-4-1-2-6-12(10)14(20)21/h1-7H,8-9,16H2,(H,20,21)/p-1