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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS/c1-15(18(26)25(3)20(14-21)12-8-5-9-13-20)27-19-23-22-17(24(19)2)16-10-6-4-7-11-16/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3/t15-/m1/s1