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

Systemtic Name: 2-[4-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-benzyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C25H24N8S MolecularWeight: 468.57666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4)C5=NC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C25H24N8S/c26-17-21-6-11-28-23(16-21)31-14-12-30(13-15-31)19-33-25(34)32(18-20-4-2-1-3-5-20)24(29-33)22-7-9-27-10-8-22/h1-11,16H,12-15,18-19H2