2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-6-phenylazanyl-hexanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-6-phenylazanyl-hexanenitrile Openeye Name: 6-anilino-2-[4-(4-bromophenyl)thiazol-2-yl]-3-oxo-hexanenitrile CAS Name: 6-anilino-2-[4-(4-bromophenyl)-2-thiazolyl]-3-oxohexanenitrile IUPAC Name: 6-anilino-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxohexanenitrile Traditional Name: 6-anilino-2-[4-(4-bromophenyl)thiazol-2-yl]-3-keto-hexanenitrile Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCCC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)NCCCC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN3OS/c22-16-10-8-15(9-11-16)19-14-27-21(25-19)18(13-23)20(26)7-4-12-24-17-5-2-1-3-6-17/h1-3,5-6,8-11,14,18,24H,4,7,12H2