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

Systemtic Name: 4-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoate IUPAC Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoate Formula: C14H15N4O3S- MolecularWeight: 319.3589

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c15-18-12(9-1-2-9)16-17-14(18)22-8-7-21-11-5-3-10(4-6-11)13(19)20/h3-6,9H,1-2,7-8,15H2,(H,19,20)/p-1