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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NNC(=N3)C(C)C

InChI

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