4-[2-[[4-azanyl-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate

Systemtic Name: 4-[2-[[4-azanyl-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[[4-amino-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[4-amino-5-[(ethylthio)methyl]-1,2,4-triazol-3-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[[4-amino-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[[4-amino-5-[(ethylthio)methyl]-1,2,4-triazol-3-yl]thio]ethoxy]benzoate Formula: C14H17N4O3S2- MolecularWeight: 353.43978

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCSCC1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N4O3S2/c1-2-22-9-12-16-17-14(18(12)15)23-8-7-21-11-5-3-10(4-6-11)13(19)20/h3-6H,2,7-9,15H2,1H3,(H,19,20)/p-1