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

Systemtic Name: (2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: (2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: (2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: (2R)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCCN1C=NN=C1S[C@H](C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-3-4-8-15-26-16-23-25-22(26)29-17(2)21(27)24-18-11-13-20(14-12-18)28-19-9-6-5-7-10-19/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,24,27)/t17-/m1/s1