N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)C

InChI

InChI=1S/C20H20ClN3OS/c1-14-10-15(2)20(18(21)11-14)23-19(25)13-26-12-16-4-6-17(7-5-16)24-9-3-8-22-24/h3-11H,12-13H2,1-2H3,(H,23,25)