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

Systemtic Name: 1-[3-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[3-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[3-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[3-[3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]phenyl]ethanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-15(26)17-6-5-9-20(12-17)28-13-19(27)14-29-22-23-21(16-10-11-16)25(24-22)18-7-3-2-4-8-18/h2-9,12,16,19,27H,10-11,13-14H2,1H3