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

Systemtic Name: 2-[4-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[3-(3-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[3-(3-methoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[3-(3-methoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C26H25N7OS MolecularWeight: 483.588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C26H25N7OS/c1-34-23-9-5-6-21(17-23)25-29-32(26(35)33(25)22-7-3-2-4-8-22)19-30-12-14-31(15-13-30)24-16-20(18-27)10-11-28-24/h2-11,16-17H,12-15,19H2,1H3