N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H14ClF3N4O2S MolecularWeight: 442.84257

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H14ClF3N4O2S/c1-26-17(28)12-5-3-2-4-11(12)14(25-26)15(27)23-6-7-29-16-13(19)8-10(9-24-16)18(20,21)22/h2-5,8-9H,6-7H2,1H3,(H,23,27)