[(3E)-3-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-cyano-2-oxidanylidene-propyl]-butyl-methyl-azanium

Systemtic Name: [(3E)-3-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-cyano-2-oxidanylidene-propyl]-butyl-methyl-azanium Openeye Name: [(3E)-3-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-3-cyano-2-oxo-propyl]-butyl-methyl-ammonium CAS Name: [(3E)-3-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-3-cyano-2-oxopropyl]-butyl-methylammonium IUPAC Name: [(3E)-3-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-cyano-2-oxopropyl]-butyl-methylazanium Traditional Name: [(3E)-3-[4-(4-bromophenyl)-4-thiazolin-2-ylidene]-3-cyano-2-keto-propyl]-butyl-methyl-ammonium Formula: C18H21BrN3OS+ MolecularWeight: 407.34784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(=O)C(=C1NC(=CS1)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCCC[NH+](C)CC(=O)/C(=C/1\NC(=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/p+1/b18-15+