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

Systemtic Name: (2R)-N-(4-phenylmethoxyphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-benzyloxyphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-phenylmethoxyphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-phenylmethoxyphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-benzoxyphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NN1)S[C@H](C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-3-7-19-23-21(25-24-19)28-15(2)20(26)22-17-10-12-18(13-11-17)27-14-16-8-5-4-6-9-16/h4-6,8-13,15H,3,7,14H2,1-2H3,(H,22,26)(H,23,24,25)/t15-/m1/s1