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

Systemtic Name: 2-[4-[[5-(3-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[5-(3-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[5-(3-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[5-(3-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[5-(3-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(=CC=C3)Br)C4=NC=CC(=C4)C#N

Isomeric SMILES

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

InChI

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