(3S)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-1,3-dihydropyrazole

Systemtic Name: (3S)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-1,3-dihydropyrazole Openeye Name: (3S)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-(2-thienyl)-1,3-dihydropyrazole CAS Name: (3S)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-1,3-dihydropyrazole IUPAC Name: (3S)-5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-1,3-dihydropyrazole Traditional Name: (5S)-3-(3,4-dimethoxyphenyl)-1-mesyl-5-(2-thienyl)-3-pyrazoline Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(N(N2)S(=O)(=O)C)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C[C@H](N(N2)S(=O)(=O)C)C3=CC=CS3)OC

InChI

InChI=1S/C16H18N2O4S2/c1-21-14-7-6-11(9-15(14)22-2)12-10-13(16-5-4-8-23-16)18(17-12)24(3,19)20/h4-10,13,17H,1-3H3/t13-/m0/s1