2-cyclohexylidene-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-cyclohexylidene-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-cyclohexylidene-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-yl]acetonitrile CAS Name: 2-cyclohexylidene-2-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]acetonitrile IUPAC Name: 2-cyclohexylidene-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-cyclohexylidene-2-[4-(4-pyrrolidinosulfonylphenyl)thiazol-2-yl]acetonitrile Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)CC1

Isomeric SMILES

C1CCC(=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)CC1

InChI

InChI=1S/C21H23N3O2S2/c22-14-19(16-6-2-1-3-7-16)21-23-20(15-27-21)17-8-10-18(11-9-17)28(25,26)24-12-4-5-13-24/h8-11,15H,1-7,12-13H2