(2R)-N-(3-cyanophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(3-cyanophenyl)propionamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SC(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCCN1C=NN=C1S[C@H](C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H21N5OS/c1-3-4-5-9-22-12-19-21-17(22)24-13(2)16(23)20-15-8-6-7-14(10-15)11-18/h6-8,10,12-13H,3-5,9H2,1-2H3,(H,20,23)/t13-/m1/s1