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

Systemtic Name: 4-[2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoate IUPAC Name: 4-[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoate Formula: C14H17N4O3S- MolecularWeight: 321.37478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N4O3S/c1-2-3-12-16-17-14(18(12)15)22-9-8-21-11-6-4-10(5-7-11)13(19)20/h4-7H,2-3,8-9,15H2,1H3,(H,19,20)/p-1