(4S)-2-(3-bromophenyl)-4-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

Systemtic Name: (4S)-2-(3-bromophenyl)-4-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole Openeye Name: (4S)-2-(3-bromophenyl)-4-(2,3-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazole CAS Name: (4S)-2-(3-bromophenyl)-4-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole IUPAC Name: (4S)-2-(3-bromophenyl)-4-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole Traditional Name: (4S)-1-(3-bromophenyl)-4-(2,3-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazoline Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2CN(N=C2C3=CC=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@H]2CN(N=C2C3=CC=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H19BrN2O2S/c1-25-18-9-4-8-16(21(18)26-2)17-13-24(15-7-3-6-14(22)12-15)23-20(17)19-10-5-11-27-19/h3-12,17H,13H2,1-2H3/t17-/m1/s1