4-[(4E)-1-(5-chloranyl-2-methoxy-phenyl)-4-[(3-methylthiophen-2-yl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[(4E)-1-(5-chloranyl-2-methoxy-phenyl)-4-[(3-methylthiophen-2-yl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanylbutanenitrile Openeye Name: 4-[(4E)-1-(5-chloro-2-methoxy-phenyl)-4-[(3-methyl-2-thienyl)methylene]-5-oxo-imidazol-2-yl]sulfanylbutanenitrile CAS Name: 4-[[(4E)-1-(5-chloro-2-methoxyphenyl)-4-[(3-methyl-2-thiophenyl)methylidene]-5-oxo-2-imidazolyl]thio]butanenitrile IUPAC Name: 4-[(4E)-1-(5-chloro-2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[(4E)-1-(5-chloro-2-methoxy-phenyl)-5-keto-4-[(3-methyl-2-thienyl)methylene]-2-imidazolin-2-yl]thio]butyronitrile Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=O)N(C(=N2)SCCCC#N)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=C(SC=C1)/C=C/2\C(=O)N(C(=N2)SCCCC#N)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H18ClN3O2S2/c1-13-7-10-27-18(13)12-15-19(25)24(20(23-15)28-9-4-3-8-22)16-11-14(21)5-6-17(16)26-2/h5-7,10-12H,3-4,9H2,1-2H3/b15-12+