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

Systemtic Name: 2-[4-[[4-(phenylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-(phenylmethyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-benzyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-benzyl-3-(3-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=CN=CC=C3)CC4=CC=CC=C4)C5=NC=CC(=C5)C#N

Isomeric SMILES

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

InChI

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