1-[4-[4-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(5-methyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[(5-methyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperazino]sulfonylphenyl]ethanone Formula: C16H20N4O3S3 MolecularWeight: 412.55

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=NN(C(=S)S1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C16H20N4O3S3/c1-12(21)14-3-5-15(6-4-14)26(22,23)19-9-7-18(8-10-19)11-20-16(24)25-13(2)17-20/h3-6H,7-11H2,1-2H3