2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-4-[butyl(methyl)amino]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-4-[butyl(methyl)amino]-3-oxidanylidene-butanenitrile Openeye Name: 2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-4-[butyl(methyl)amino]-3-oxo-butanenitrile CAS Name: 2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-4-[butyl(methyl)amino]-3-oxobutanenitrile IUPAC Name: 2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-4-[butyl(methyl)amino]-3-oxobutanenitrile Traditional Name: 2-[4-(4-bromophenyl)-4-thiazolin-2-ylidene]-4-[butyl(methyl)amino]-3-keto-butyronitrile Formula: C18H20BrN3OS MolecularWeight: 406.3399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CC(=O)C(=C1NC(=CS1)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCCCN(C)CC(=O)C(=C1NC(=CS1)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C18H20BrN3OS/c1-3-4-9-22(2)11-17(23)15(10-20)18-21-16(12-24-18)13-5-7-14(19)8-6-13/h5-8,12,21H,3-4,9,11H2,1-2H3