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

Systemtic Name: 2-[4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)CC#N)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)CC#N)O

InChI

InChI=1S/C22H22N4O2S/c23-13-12-16-6-10-20(11-7-16)28-14-19(27)15-29-22-25-24-21(17-8-9-17)26(22)18-4-2-1-3-5-18/h1-7,10-11,17,19,27H,8-9,12,14-15H2