2-[2-(3-chlorophenyl)sulfonyl-4-methyl-phenyl]-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-[2-(3-chlorophenyl)sulfonyl-4-methyl-phenyl]-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-[2-(3-chlorophenyl)sulfonyl-4-methyl-phenyl]-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-[2-(3-chlorophenyl)sulfonyl-4-methylphenyl]-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-[2-(3-chlorophenyl)sulfonyl-4-methylphenyl]-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 2-[2-(3-chlorophenyl)sulfonyl-4-methyl-phenyl]-4-phenyl-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C26H23ClN4O2S MolecularWeight: 491.00442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CCC2=CC=CC=C2)(CN3C=NC=N3)C#N)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(CCC2=CC=CC=C2)(CN3C=NC=N3)C#N)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H23ClN4O2S/c1-20-10-11-24(25(14-20)34(32,33)23-9-5-8-22(27)15-23)26(16-28,17-31-19-29-18-30-31)13-12-21-6-3-2-4-7-21/h2-11,14-15,18-19H,12-13,17H2,1H3