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

Systemtic Name: 4-[2-[(4-azanyl-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzoic acid Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(CC)C1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H22N4O3S/c1-3-11(4-2)14-18-19-16(20(14)17)24-10-9-23-13-7-5-12(6-8-13)15(21)22/h5-8,11H,3-4,9-10,17H2,1-2H3,(H,21,22)