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

Systemtic Name: 2-[4-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[5-(4-tert-butylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[5-(4-tert-butylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[5-(4-tert-butylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazino]isonicotinonitrile Formula: C23H26N6OS MolecularWeight: 434.55714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C23H26N6OS/c1-23(2,3)19-6-4-18(5-7-19)21-26-29(22(31)30-21)16-27-10-12-28(13-11-27)20-14-17(15-24)8-9-25-20/h4-9,14H,10-13,16H2,1-3H3