(2S)-N-(1-cyanocyclohexyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(1-cyanocyclohexyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(1-cyanocyclohexyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide CAS Name: (2S)-N-(1-cyanocyclohexyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]propanamide IUPAC Name: (2S)-N-(1-cyanocyclohexyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(1-cyanocyclohexyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propionamide Formula: C18H20N4OS3 MolecularWeight: 404.5726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN(C(=S)S2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)SC2=NN(C(=S)S2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4OS3/c1-13(15(23)20-18(12-19)10-6-3-7-11-18)25-16-21-22(17(24)26-16)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,20,23)/t13-/m0/s1