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

Systemtic Name: 1-[4-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C23H25N3O3S/c1-2-21(28)16-10-12-20(13-11-16)29-14-19(27)15-30-23-24-22(17-8-9-17)26(25-23)18-6-4-3-5-7-18/h3-7,10-13,17,19,27H,2,8-9,14-15H2,1H3