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

Systemtic Name: methyl 3-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C18H16N2O2S3 MolecularWeight: 388.52684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=S)SC(=N2)SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=S)SC(=N2)SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C18H16N2O2S3/c1-12-6-3-4-9-15(12)20-18(23)25-17(19-20)24-11-13-7-5-8-14(10-13)16(21)22-2/h3-10H,11H2,1-2H3