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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C20H25N5OS2 MolecularWeight: 415.5754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)SC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C20H25N5OS2/c1-14(18(26)24(2)20(13-21)10-4-3-5-11-20)28-19-23-22-17(16-7-6-12-27-16)25(19)15-8-9-15/h6-7,12,14-15H,3-5,8-11H2,1-2H3/t14-/m1/s1