3-[[4-azanyl-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[4-azanyl-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-amino-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-amino-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-amino-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-amino-5-(2,5-dimethylbenzyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C14H17N4O2S- MolecularWeight: 305.37538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=NN=C(N2N)SCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=NN=C(N2N)SCCC(=O)[O-]

InChI

InChI=1S/C14H18N4O2S/c1-9-3-4-10(2)11(7-9)8-12-16-17-14(18(12)15)21-6-5-13(19)20/h3-4,7H,5-6,8,15H2,1-2H3,(H,19,20)/p-1