1-(4-ethylpiperazin-1-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-ethylpiperazino)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H25N5O2S/c1-3-24-11-13-25(14-12-24)20(27)16(2)29-21-23-22-19(18-10-7-15-28-18)26(21)17-8-5-4-6-9-17/h4-10,15-16H,3,11-14H2,1-2H3