N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N5O3S/c1-12-9-13(2)22(21-12)17-8-3-14(10-19-17)20-18(24)11-27-16-6-4-15(5-7-16)23(25)26/h3-10H,11H2,1-2H3,(H,20,24)