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

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[[5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O2S/c1-4-14-32-25(19-34-24-12-10-22(11-13-24)21(2)3)28-29-27(32)35-20-26(33)31-17-15-30(16-18-31)23-8-6-5-7-9-23/h4-13,21H,1,14-20H2,2-3H3