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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C20H25N5O3S/c1-4-9-25-19(16-7-5-6-8-17(16)28-3)21-22-20(25)29-14-18(27)24-12-10-23(11-13-24)15(2)26/h4-8H,1,9-14H2,2-3H3