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

Systemtic Name: 1-[4-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]phenyl]ethanone Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=CN2C3CC3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=CN2C3CC3)O

InChI

InChI=1S/C16H19N3O3S/c1-11(20)12-2-6-15(7-3-12)22-8-14(21)9-23-16-18-17-10-19(16)13-4-5-13/h2-3,6-7,10,13-14,21H,4-5,8-9H2,1H3