2-[[4-(phenylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(phenylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(4-benzyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[[4-(phenylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[(4-benzyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-benzyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid Formula: C11H10N2O2S3 MolecularWeight: 298.4043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=S)SC(=N2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=S)SC(=N2)SCC(=O)O

InChI

InChI=1S/C11H10N2O2S3/c14-9(15)7-17-10-12-13(11(16)18-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)