N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-[2-[(4-chlorophenyl)methyl]-3-pyrazolyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[2-(4-chlorobenzyl)pyrazol-3-yl]-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O4S/c1-29-18-7-4-15(10-17(18)25(27)28)12-30-13-20(26)23-19-8-9-22-24(19)11-14-2-5-16(21)6-3-14/h2-10H,11-13H2,1H3,(H,23,26)