N-(3,4-dimethoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)OC

InChI

InChI=1S/C20H21N3O3S/c1-25-18-9-6-16(12-19(18)26-2)22-20(24)14-27-13-15-4-7-17(8-5-15)23-11-3-10-21-23/h3-12H,13-14H2,1-2H3,(H,22,24)