(2E)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-4-(dipropylamino)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-4-(dipropylamino)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-4-(dipropylamino)-3-oxo-butanenitrile CAS Name: (2E)-2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-4-(dipropylamino)-3-oxobutanenitrile IUPAC Name: (2E)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-4-(dipropylamino)-3-oxobutanenitrile Traditional Name: (2E)-2-[4-(4-bromophenyl)-4-thiazolin-2-ylidene]-4-(dipropylamino)-3-keto-butyronitrile Formula: C19H22BrN3OS MolecularWeight: 420.36648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCN(CCC)CC(=O)/C(=C/1\NC(=CS1)C2=CC=C(C=C2)Br)/C#N

InChI

InChI=1S/C19H22BrN3OS/c1-3-9-23(10-4-2)12-18(24)16(11-21)19-22-17(13-25-19)14-5-7-15(20)8-6-14/h5-8,13,22H,3-4,9-10,12H2,1-2H3/b19-16+