N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-8-yl-methanamine

Systemtic Name: N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-8-yl-methanamine Openeye Name: N-[[4-allyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(8-quinolyl)methanamine CAS Name: N-[[5-[(3-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(8-quinolinyl)methanamine IUPAC Name: N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-8-ylmethanamine Traditional Name: [4-allyl-5-[(3-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl-methyl-(8-quinolylmethyl)amine Formula: C24H24FN5S MolecularWeight: 433.544263

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1N=CC=C2)CC3=NN=C(N3CC=C)SCC4=CC(=CC=C4)F

Isomeric SMILES

CN(CC1=CC=CC2=C1N=CC=C2)CC3=NN=C(N3CC=C)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C24H24FN5S/c1-3-13-30-22(27-28-24(30)31-17-18-7-4-11-21(25)14-18)16-29(2)15-20-9-5-8-19-10-6-12-26-23(19)20/h3-12,14H,1,13,15-17H2,2H3