2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxo-butanenitrile CAS Name: 2-[4-(4-bromophenyl)-2-thiazolyl]-4-[4-(2-ethoxyphenyl)-1-piperazinyl]-3-oxobutanenitrile IUPAC Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxobutanenitrile Traditional Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3-keto-4-(4-o-phenetylpiperazino)butyronitrile Formula: C25H25BrN4O2S MolecularWeight: 525.4606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN4O2S/c1-2-32-24-6-4-3-5-22(24)30-13-11-29(12-14-30)16-23(31)20(15-27)25-28-21(17-33-25)18-7-9-19(26)10-8-18/h3-10,17,20H,2,11-14,16H2,1H3