1-[(3S)-3-(4-bromophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[(3S)-3-(4-bromophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-3-(4-bromophenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-3-(4-bromophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-3-(4-bromophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-5-(4-bromophenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]propan-1-one Formula: C16H15BrN2OS MolecularWeight: 363.2721

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C=C(N1)C2=CC=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC(=O)N1[C@@H](C=C(N1)C2=CC=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN2OS/c1-2-16(20)19-14(11-5-7-12(17)8-6-11)10-13(18-19)15-4-3-9-21-15/h3-10,14,18H,2H2,1H3/t14-/m0/s1