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

Systemtic Name: 1-[4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[3-[(5-cyclopropyl-4-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=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)O

InChI

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