3-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)O

InChI

InChI=1S/C15H20N4O2S/c1-15(2,3)11-6-4-10(5-7-11)13-17-18-14(19(13)16)22-9-8-12(20)21/h4-7H,8-9,16H2,1-3H3,(H,20,21)