2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[2-(phenylmethyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[2-(phenylmethyl)pyrazol-3-yl]ethanamide Openeye Name: N-(2-benzylpyrazol-3-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-[2-(phenylmethyl)-3-pyrazolyl]acetamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(2-benzylpyrazol-3-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C19H15F3N4O3S MolecularWeight: 436.40761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H15F3N4O3S/c20-19(21,22)14-6-7-16(15(10-14)26(28)29)30-12-18(27)24-17-8-9-23-25(17)11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,24,27)