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

Systemtic Name: 2-[[4-azanyl-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-[(3,4-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3,4-dimethylbenzyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H15N4O2S- MolecularWeight: 291.3488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2S/c1-8-3-4-10(5-9(8)2)6-11-15-16-13(17(11)14)20-7-12(18)19/h3-5H,6-7,14H2,1-2H3,(H,18,19)/p-1