furan-2-yl-[4-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]carbonyl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]carbonyl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carbonyl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[oxo-[1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carbonyl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carbonyl]piperazino]methanone Formula: C23H21N7O3S MolecularWeight: 475.52294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

InChI

InChI=1S/C23H21N7O3S/c31-21(19-8-4-15-33-19)28-11-13-29(14-12-28)22(32)20-18(16-34-23-24-9-5-10-25-23)30(27-26-20)17-6-2-1-3-7-17/h1-10,15H,11-14,16H2