3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionate Formula: C11H10N3O2S- MolecularWeight: 248.281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCCC(=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c15-10(16)6-7-17-11-13-12-8-14(11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)/p-1