(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propan-1-one Formula: C17H23N4OS3+ MolecularWeight: 395.58572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NN(C(=S)S2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@@H](C)SC2=NN(C(=S)S2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS3/c1-3-19-9-11-20(12-10-19)15(22)13(2)24-16-18-21(17(23)25-16)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3/p+1/t13-/m1/s1