3-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]-2-thiophen-2-ylsulfonyl-prop-2-enenitrile

Systemtic Name: 3-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]-2-thiophen-2-ylsulfonyl-prop-2-enenitrile Openeye Name: 3-[4-(4-tert-butylthiazol-2-yl)phenyl]-2-(2-thienylsulfonyl)prop-2-enenitrile CAS Name: 3-[4-(4-tert-butyl-2-thiazolyl)phenyl]-2-thiophen-2-ylsulfonyl-2-propenenitrile IUPAC Name: 3-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]-2-thiophen-2-ylsulfonylprop-2-enenitrile Traditional Name: 3-[4-(4-tert-butylthiazol-2-yl)phenyl]-2-(2-thienylsulfonyl)acrylonitrile Formula: C20H18N2O2S3 MolecularWeight: 414.56412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=C(C#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=C(C#N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H18N2O2S3/c1-20(2,3)17-13-26-19(22-17)15-8-6-14(7-9-15)11-16(12-21)27(23,24)18-5-4-10-25-18/h4-11,13H,1-3H3