(2E)-4-(dihexylamino)-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile

Systemtic Name: (2E)-4-(dihexylamino)-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile Openeye Name: (2E)-4-(dihexylamino)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)butanenitrile CAS Name: (2E)-4-(dihexylamino)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)butanenitrile IUPAC Name: (2E)-4-(dihexylamino)-3-oxo-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)butanenitrile Traditional Name: (2E)-4-(dihexylamino)-3-keto-2-(4-phenyl-4-thiazolin-2-ylidene)butyronitrile Formula: C25H35N3OS MolecularWeight: 425.6299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)CC(=O)C(=C1NC(=CS1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCCN(CCCCCC)CC(=O)/C(=C/1\NC(=CS1)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C25H35N3OS/c1-3-5-7-12-16-28(17-13-8-6-4-2)19-24(29)22(18-26)25-27-23(20-30-25)21-14-10-9-11-15-21/h9-11,14-15,20,27H,3-8,12-13,16-17,19H2,1-2H3/b25-22+