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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS/c1-13(16(24)21-18(12-19)10-6-3-7-11-18)25-17-20-15(22-23-17)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,21,24)(H,20,22,23)/t13-/m1/s1