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

Systemtic Name: 2-[4-[[4-(2-propan-2-ylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-(2-isopropylphenyl)-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-(2-propan-2-ylphenyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-(2-propan-2-ylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-o-cumenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C27H28N8S MolecularWeight: 496.62982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CN=CC=C5

InChI

InChI=1S/C27H28N8S/c1-20(2)23-7-3-4-8-24(23)35-26(22-6-5-10-29-18-22)31-34(27(35)36)19-32-12-14-33(15-13-32)25-16-21(17-28)9-11-30-25/h3-11,16,18,20H,12-15,19H2,1-2H3