4-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]benzonitrile Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C19H24N4O2S/c1-14-21-22-19(23(14)16-5-3-2-4-6-16)26-13-17(24)12-25-18-9-7-15(11-20)8-10-18/h7-10,16-17,24H,2-6,12-13H2,1H3