4-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C20H21N5S MolecularWeight: 363.47924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCCC#N)C3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCCC#N)C3=CN=CC=C3

InChI

InChI=1S/C20H21N5S/c1-15(2)17-9-3-4-10-18(17)25-19(16-8-7-12-22-14-16)23-24-20(25)26-13-6-5-11-21/h3-4,7-10,12,14-15H,5-6,13H2,1-2H3