4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzonitrile Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCCOC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCCOC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N4O2S/c1-3-4-13-26-21(18-7-11-19(27-2)12-8-18)24-25-22(26)29-15-14-28-20-9-5-17(16-23)6-10-20/h5-12H,3-4,13-15H2,1-2H3