4-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzonitrile CAS Name: 4-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]-mercaptomethyl]benzonitrile IUPAC Name: 4-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]-sulfanylmethyl]benzonitrile Traditional Name: 4-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]-mercapto-methyl]benzonitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1C(C2=CC=C(C=C2)C#N)S)COC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1C(C2=CC=C(C=C2)C#N)S)COC3=CC=C(C=C3)C

InChI

InChI=1S/C20H20N4OS/c1-3-24-18(13-25-17-10-4-14(2)5-11-17)22-23-20(24)19(26)16-8-6-15(12-21)7-9-16/h4-11,19,26H,3,13H2,1-2H3