methyl 2-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester Formula: C12H12N2O2S3 MolecularWeight: 312.43088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(S1)SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CSC1=NN=C(S1)SCC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S3/c1-16-10(15)8-18-12-14-13-11(19-12)17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3