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

Systemtic Name: 2-[4-[[4-methyl-3-(2-methylfuran-3-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-methyl-3-(2-methyl-3-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-methyl-3-(2-methyl-3-furanyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-methyl-3-(2-methylfuran-3-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-methyl-3-(2-methyl-3-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C19H21N7OS MolecularWeight: 395.48134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2C)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2C)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C19H21N7OS/c1-14-16(4-10-27-14)18-22-26(19(28)23(18)2)13-24-6-8-25(9-7-24)17-11-15(12-20)3-5-21-17/h3-5,10-11H,6-9,13H2,1-2H3