2-[4-[[3-(4-bromophenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[3-(4-bromophenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[3-(4-bromophenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[3-(4-bromophenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[3-(4-bromophenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[3-(4-bromophenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazino]isonicotinonitrile Formula: C20H19BrN6S MolecularWeight: 455.37406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=CN(C2=S)C3=CC=C(C=C3)Br)C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CN2C=CN(C2=S)C3=CC=C(C=C3)Br)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C20H19BrN6S/c21-17-1-3-18(4-2-17)27-12-11-26(20(27)28)15-24-7-9-25(10-8-24)19-13-16(14-22)5-6-23-19/h1-6,11-13H,7-10,15H2