ethyl 4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thio]methyl]benzoic acid ethyl ester Formula: C12H12N2O2S3 MolecularWeight: 312.43088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NNC(=S)S2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NNC(=S)S2

InChI

InChI=1S/C12H12N2O2S3/c1-2-16-10(15)9-5-3-8(4-6-9)7-18-12-14-13-11(17)19-12/h3-6H,2,7H2,1H3,(H,13,17)