1-[4-ethoxy-3-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]ethanone Formula: C20H20N2O2S3 MolecularWeight: 416.58

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN(C(=S)S2)C3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN(C(=S)S2)C3=CC=CC=C3C

InChI

InChI=1S/C20H20N2O2S3/c1-4-24-18-10-9-15(14(3)23)11-16(18)12-26-19-21-22(20(25)27-19)17-8-6-5-7-13(17)2/h5-11H,4,12H2,1-3H3