2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]butyramide Formula: C21H21N5OS3 MolecularWeight: 455.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)SCC)SC2=C(C=CC(=N2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)SCC)SC2=C(C=CC(=N2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C21H21N5OS3/c1-4-17(18(27)24-20-25-26-21(30-20)28-5-2)29-19-15(12-22)10-11-16(23-19)14-8-6-13(3)7-9-14/h6-11,17H,4-5H2,1-3H3,(H,24,25,27)