2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14N4O3S MolecularWeight: 306.34026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CCC(=O)N)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CCC(=O)N)SCC(=O)O

InChI

InChI=1S/C13H14N4O3S/c14-10(18)6-7-17-12(9-4-2-1-3-5-9)15-16-13(17)21-8-11(19)20/h1-5H,6-8H2,(H2,14,18)(H,19,20)