1-(5-cyanopyridin-2-yl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]isonipecotamide Formula: C22H22N6OS2 MolecularWeight: 450.57968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H22N6OS2/c1-15-2-4-16(5-3-15)14-30-22-27-26-21(31-22)25-20(29)18-8-10-28(11-9-18)19-7-6-17(12-23)13-24-19/h2-7,13,18H,8-11,14H2,1H3,(H,25,26,29)