N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[2-[(3-chlorophenyl)methyl]-3-pyrazolyl]-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[2-(3-chlorobenzyl)pyrazol-3-yl]-3-[(4-methoxyphenyl)thio]propionamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-26-17-5-7-18(8-6-17)27-12-10-20(25)23-19-9-11-22-24(19)14-15-3-2-4-16(21)13-15/h2-9,11,13H,10,12,14H2,1H3,(H,23,25)