3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionamide Formula: C20H19N5O2S2 MolecularWeight: 425.52716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C)C#N

InChI

InChI=1S/C20H19N5O2S2/c1-12-15(13(2)22-18(27)16(12)10-21)8-9-17(26)23-19-24-25-20(29-19)28-11-14-6-4-3-5-7-14/h3-7H,8-9,11H2,1-2H3,(H,22,27)(H,23,24,26)