2-[4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[5-(4-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[5-(4-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazino]isonicotinonitrile Formula: C19H17BrN6OS MolecularWeight: 457.34688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)OC(=N2)C3=CC=C(C=C3)Br)C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CN2C(=S)OC(=N2)C3=CC=C(C=C3)Br)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C19H17BrN6OS/c20-16-3-1-15(2-4-16)18-23-26(19(28)27-18)13-24-7-9-25(10-8-24)17-11-14(12-21)5-6-22-17/h1-6,11H,7-10,13H2