2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H24N4OS/c1-5-27-19-12-10-18(11-13-19)26-20(24-25-21(26)28-15-14-23)16-6-8-17(9-7-16)22(2,3)4/h6-13H,5,15H2,1-4H3