2-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C21H15FN4O2S2 MolecularWeight: 438.497803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=CS3)C(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=CS3)C(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O2S2/c22-13-7-5-12(6-8-13)18-14-3-1-2-4-15(14)21(26-25-18)30-11-17(27)24-20-16(19(23)28)9-10-29-20/h1-10H,11H2,(H2,23,28)(H,24,27)