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

Systemtic Name: 4-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C14H16N4O3S MolecularWeight: 320.36684

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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)