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

Systemtic Name: 4-[3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]propoxy]benzonitrile Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(COC3=CC=C(C=C3)C#N)O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(COC3=CC=C(C=C3)C#N)O)N4CCCC4

InChI

InChI=1S/C23H25N5O2S/c1-17-4-8-19(9-5-17)28-22(27-12-2-3-13-27)25-26-23(28)31-16-20(29)15-30-21-10-6-18(14-24)7-11-21/h4-11,20,29H,2-3,12-13,15-16H2,1H3