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

Systemtic Name: 3-[[4-(phenylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[(4-benzyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid CAS Name: 3-[[4-(phenylmethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]propanoic acid IUPAC Name: 3-[(4-benzyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-benzyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propionic acid Formula: C12H12N2O2S3 MolecularWeight: 312.43088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O2S3/c15-10(16)6-7-18-11-13-14(12(17)19-11)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,16)