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

Systemtic Name: methyl 2-[[4-(3-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(m-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-(m-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester Formula: C12H12N2O2S3 MolecularWeight: 312.43088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=S)SC(=N2)SCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=S)SC(=N2)SCC(=O)OC

InChI

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