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

Systemtic Name: 4-[3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]propoxy]benzonitrile Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C#N)O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C#N)O)C3=CC(=CC=C3)C

InChI

InChI=1S/C22H24N4O2S/c1-3-11-26-21(18-6-4-5-16(2)12-18)24-25-22(26)29-15-19(27)14-28-20-9-7-17(13-23)8-10-20/h4-10,12,19,27H,3,11,14-15H2,1-2H3