2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-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-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-[2-(4-methylphenyl)-4-quinolinyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C27H27N5OS MolecularWeight: 469.60118

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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)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)SCC(=O)N5CCCC5

InChI

InChI=1S/C27H27N5OS/c1-3-14-32-26(29-30-27(32)34-18-25(33)31-15-6-7-16-31)22-17-24(20-12-10-19(2)11-13-20)28-23-9-5-4-8-21(22)23/h3-5,8-13,17H,1,6-7,14-16,18H2,2H3