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

Systemtic Name: 4-[3-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[[4-amino-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate CAS Name: 4-[3-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propoxy]benzoate IUPAC Name: 4-[3-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[[4-amino-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propoxy]benzoate Formula: C17H17N4O3S2- MolecularWeight: 389.47188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NN=C(N2N)SCCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC2=NN=C(N2N)SCCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H18N4O3S2/c18-21-15(11-14-3-1-9-25-14)19-20-17(21)26-10-2-8-24-13-6-4-12(5-7-13)16(22)23/h1,3-7,9H,2,8,10-11,18H2,(H,22,23)/p-1