2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(2-furfuryl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C24H25N7O3S MolecularWeight: 491.5654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H25N7O3S/c1-33-19-6-2-5-18(15-19)22-27-28-24(31(22)16-20-7-3-14-34-20)35-17-21(32)29-10-12-30(13-11-29)23-25-8-4-9-26-23/h2-9,14-15H,10-13,16-17H2,1H3