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

Systemtic Name: methyl 4-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C17H14N2O2S3 MolecularWeight: 374.50026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN(C(=S)S2)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O2S3/c1-21-15(20)13-9-7-12(8-10-13)11-23-16-18-19(17(22)24-16)14-5-3-2-4-6-14/h2-10H,11H2,1H3