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

Systemtic Name: 2-[4-[[4-(furan-2-ylmethyl)-3-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-(2-furylmethyl)-3-isopropyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-(2-furanylmethyl)-3-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-(furan-2-ylmethyl)-3-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-(2-furfuryl)-3-isopropyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C21H25N7OS MolecularWeight: 423.5345

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=S)N1CC2=CC=CO2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC(C)C1=NN(C(=S)N1CC2=CC=CO2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C21H25N7OS/c1-16(2)20-24-28(21(30)27(20)14-18-4-3-11-29-18)15-25-7-9-26(10-8-25)19-12-17(13-22)5-6-23-19/h3-6,11-12,16H,7-10,14-15H2,1-2H3