4-[(4E)-1-(3-chloranyl-4-methoxy-phenyl)-4-(furan-2-ylmethylidene)-5-oxidanylidene-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[(4E)-1-(3-chloranyl-4-methoxy-phenyl)-4-(furan-2-ylmethylidene)-5-oxidanylidene-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[(4E)-1-(3-chloro-4-methoxy-phenyl)-4-(2-furylmethylene)-5-oxo-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[(4E)-1-(3-chloro-4-methoxyphenyl)-4-(2-furanylmethylidene)-5-oxo-2-imidazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[(4E)-1-(3-chloro-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[(4E)-1-(3-chloro-4-methoxy-phenyl)-4-(2-furfurylidene)-5-keto-2-imidazolin-2-yl]thio]-3-keto-butyronitrile Formula: C21H17ClN4O4S MolecularWeight: 456.90208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC(=CC2=CC=CO2)C(=O)N1C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=N/C(=C/C2=CC=CO2)/C(=O)N1C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H17ClN4O4S/c1-12(24)15(10-23)18(27)11-31-21-25-17(9-14-4-3-7-30-14)20(28)26(21)13-5-6-19(29-2)16(22)8-13/h3-9,15,24H,11H2,1-2H3/b17-9+,24-12?