N-(4-ethoxyphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-ethoxyphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-ethoxyphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-p-phenetyl-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H24N4O2S/c1-3-19-23-24-21(25(19)17-8-6-5-7-9-17)28-15-14-20(26)22-16-10-12-18(13-11-16)27-4-2/h5-13H,3-4,14-15H2,1-2H3,(H,22,26)