2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(2-furyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-furanyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(2-furyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H25N5O2S/c1-16(2)26-20(18-9-6-14-28-18)22-23-21(26)29-15-19(27)25-12-10-24(11-13-25)17-7-4-3-5-8-17/h3-9,14,16H,10-13,15H2,1-2H3