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

Systemtic Name: 2-[4-[[3-(2-methylfuran-3-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[3-(2-methyl-3-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[3-(2-methyl-3-furanyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[3-(2-methylfuran-3-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[3-(2-methyl-3-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C24H23N7OS MolecularWeight: 457.55072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC(=C5)C#N

InChI

InChI=1S/C24H23N7OS/c1-18-21(8-14-32-18)23-27-30(24(33)31(23)20-5-3-2-4-6-20)17-28-10-12-29(13-11-28)22-15-19(16-25)7-9-26-22/h2-9,14-15H,10-13,17H2,1H3