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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H22N6OS/c1-13(16(25)24(2)18(12-19)8-4-3-5-9-18)26-17-21-15(22-23-17)14-6-10-20-11-7-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,21,22,23)/t13-/m1/s1