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

Systemtic Name: 2-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-(2-methoxyphenyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-(2-methoxyphenyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C24H23N7OS2 MolecularWeight: 489.61572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CC=CS5

InChI

InChI=1S/C24H23N7OS2/c1-32-20-6-3-2-5-19(20)31-23(21-7-4-14-34-21)27-30(24(31)33)17-28-10-12-29(13-11-28)22-15-18(16-25)8-9-26-22/h2-9,14-15H,10-13,17H2,1H3