methyl 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN(C(=S)S1)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC)SC1=NN(C(=S)S1)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S3/c1-8(10(15)16-2)18-11-13-14(12(17)19-11)9-6-4-3-5-7-9/h3-8H,1-2H3