2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-allyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-allyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2CC=C)SCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2CC=C)SCC(=O)N3CCCCC3

InChI

InChI=1S/C20H26N4O3S2/c1-3-11-24-18(15-29(26,27)17-9-7-16(2)8-10-17)21-22-20(24)28-14-19(25)23-12-5-4-6-13-23/h3,7-10H,1,4-6,11-15H2,2H3