(2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N(C)C2(CCCCC2)C#N)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)N(C)C2(CCCCC2)C#N)C3=CC=NC=C3

InChI

InChI=1S/C20H26N6OS/c1-4-26-17(16-8-12-22-13-9-16)23-24-19(26)28-15(2)18(27)25(3)20(14-21)10-6-5-7-11-20/h8-9,12-13,15H,4-7,10-11H2,1-3H3/t15-/m1/s1