2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-3-10-27-21(19-9-15-29-17(19)2)23-24-22(27)30-16-20(28)26-13-11-25(12-14-26)18-7-5-4-6-8-18/h3-9,15H,1,10-14,16H2,2H3