2-[4-[[3-(2-methylfuran-3-yl)-4-prop-2-enyl-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-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-allyl-3-(2-methyl-3-furyl)-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-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[3-(2-methylfuran-3-yl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-allyl-3-(2-methyl-3-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C21H23N7OS MolecularWeight: 421.51862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C21H23N7OS/c1-3-7-27-20(18-5-12-29-16(18)2)24-28(21(27)30)15-25-8-10-26(11-9-25)19-13-17(14-22)4-6-23-19/h3-6,12-13H,1,7-11,15H2,2H3