N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N(C)C

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N(C)C

InChI

InChI=1S/C18H20N4O2S/c1-21(2)14(15-9-6-10-25-15)11-19-17(23)16-12-7-4-5-8-13(12)18(24)22(3)20-16/h4-10,14H,11H2,1-3H3,(H,19,23)