2-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]benzenethiolate

Systemtic Name: 2-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]benzenethiolate Openeye Name: 2-(3-benzyl-1,2,4-oxadiazol-5-yl)benzenethiolate CAS Name: 2-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]benzenethiolate IUPAC Name: 2-(3-benzyl-1,2,4-oxadiazol-5-yl)benzenethiolate Traditional Name: 2-(3-benzyl-1,2,4-oxadiazol-5-yl)benzenethiolate Formula: C15H11N2OS- MolecularWeight: 267.32564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NOC(=N2)C3=CC=CC=C3[S-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NOC(=N2)C3=CC=CC=C3[S-]

InChI

InChI=1S/C15H12N2OS/c19-13-9-5-4-8-12(13)15-16-14(17-18-15)10-11-6-2-1-3-7-11/h1-9,19H,10H2/p-1