2-[(2-bromophenyl)methyl-methyl-amino]-1-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[(2-bromophenyl)methyl-methyl-amino]-1-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[(2-bromophenyl)methyl-methyl-amino]-1-[(3S)-3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(2-bromophenyl)methyl-methylamino]-1-[(3S)-3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[(2-bromophenyl)methyl-methylamino]-1-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(2-bromobenzyl)-methyl-amino]-1-[(5S)-5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

CN(CC1=CC=CC=C1Br)CC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C21H20BrN3O2S/c1-24(13-15-6-2-3-7-16(15)22)14-21(26)25-18(19-8-4-10-27-19)12-17(23-25)20-9-5-11-28-20/h2-11,18H,12-14H2,1H3/t18-/m0/s1