N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O4S/c1-13-8-14(2)24(23-13)19-7-5-16(10-21-19)22-20(26)12-30-11-15-4-6-18(29-3)17(9-15)25(27)28/h4-10H,11-12H2,1-3H3,(H,22,26)