1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2CC)C3=CC=CC=C3)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2CC)C3=CC=CC=C3)O

InChI

InChI=1S/C22H25N3O3S/c1-3-20(27)16-10-12-19(13-11-16)28-14-18(26)15-29-22-24-23-21(25(22)4-2)17-8-6-5-7-9-17/h5-13,18,26H,3-4,14-15H2,1-2H3