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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C22H24N4S MolecularWeight: 376.51776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C#N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C#N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H24N4S/c1-15-8-6-7-9-19(15)26-20(24-25-21(26)27-16(2)14-23)17-10-12-18(13-11-17)22(3,4)5/h6-13,16H,1-5H3