2-[4-[(4-phenyl-3-piperidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(4-phenyl-3-piperidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-phenyl-3-(1-piperidyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-phenyl-3-(1-piperidinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-phenyl-3-piperidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(4-phenyl-3-piperidino-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C24H28N8S MolecularWeight: 460.59772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CCN(CC1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C24H28N8S/c25-18-20-9-10-26-22(17-20)29-15-13-28(14-16-29)19-31-24(33)32(21-7-3-1-4-8-21)23(27-31)30-11-5-2-6-12-30/h1,3-4,7-10,17H,2,5-6,11-16,19H2