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

Systemtic Name: 2-[4-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-phenyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C24H22N8S MolecularWeight: 454.55008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C24H22N8S/c25-16-19-8-10-27-22(15-19)30-13-11-29(12-14-30)18-31-24(33)32(21-6-2-1-3-7-21)23(28-31)20-5-4-9-26-17-20/h1-10,15,17H,11-14,18H2