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

Systemtic Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[2-(4-methylphenyl)-4-quinolinyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C28H29N5OS MolecularWeight: 483.62776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)SCC(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)SCC(=O)N5CCCCC5

InChI

InChI=1S/C28H29N5OS/c1-3-15-33-27(30-31-28(33)35-19-26(34)32-16-7-4-8-17-32)23-18-25(21-13-11-20(2)12-14-21)29-24-10-6-5-9-22(23)24/h3,5-6,9-14,18H,1,4,7-8,15-17,19H2,2H3