(2S)-N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-[2-[(2,4-dimethoxyphenyl)methyl]-3-pyrazolyl]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-[2-(2,4-dimethoxybenzyl)pyrazol-3-yl]-2-(phenylthio)propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=NN1CC2=C(C=C(C=C2)OC)OC)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1CC2=C(C=C(C=C2)OC)OC)SC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-15(28-18-7-5-4-6-8-18)21(25)23-20-11-12-22-24(20)14-16-9-10-17(26-2)13-19(16)27-3/h4-13,15H,14H2,1-3H3,(H,23,25)/t15-/m0/s1