(2E)-2-(azepan-2-ylidene)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: (2E)-2-(azepan-2-ylidene)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: (2E)-2-(azepan-2-ylidene)-2-[4-(4-bromophenyl)thiazol-2-yl]acetonitrile CAS Name: (2E)-2-(2-azepanylidene)-2-[4-(4-bromophenyl)-2-thiazolyl]acetonitrile IUPAC Name: (2E)-2-(azepan-2-ylidene)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: (2E)-2-(azepan-2-ylidene)-2-[4-(4-bromophenyl)thiazol-2-yl]acetonitrile Formula: C17H16BrN3S MolecularWeight: 374.29804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)NCC1

Isomeric SMILES

C1CC/C(=C(/C#N)\C2=NC(=CS2)C3=CC=C(C=C3)Br)/NCC1

InChI

InChI=1S/C17H16BrN3S/c18-13-7-5-12(6-8-13)16-11-22-17(21-16)14(10-19)15-4-2-1-3-9-20-15/h5-8,11,20H,1-4,9H2/b15-14+