(2E)-2-[3-(4-chlorophenyl)-5-ethanoyl-1,3,4-thiadiazol-2-ylidene]-3-oxidanylidene-3-piperidin-1-yl-propanenitrile

Systemtic Name: (2E)-2-[3-(4-chlorophenyl)-5-ethanoyl-1,3,4-thiadiazol-2-ylidene]-3-oxidanylidene-3-piperidin-1-yl-propanenitrile Openeye Name: (2E)-2-[5-acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2-ylidene]-3-oxo-3-(1-piperidyl)propanenitrile CAS Name: (2E)-2-[5-acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2-ylidene]-3-oxo-3-(1-piperidinyl)propanenitrile IUPAC Name: (2E)-2-[5-acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile Traditional Name: (2E)-2-[5-acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2-ylidene]-3-keto-3-piperidino-propionitrile Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=C(C#N)C(=O)N2CCCCC2)S1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=NN(/C(=C(/C#N)\C(=O)N2CCCCC2)/S1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-12(24)16-21-23(14-7-5-13(19)6-8-14)18(26-16)15(11-20)17(25)22-9-3-2-4-10-22/h5-8H,2-4,9-10H2,1H3/b18-15+