3-(2-methylpropyl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-(thiophen-2-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(2-thenyl)phthalazine-1-carboxamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H19N3O2S/c1-12(2)11-21-18(23)15-8-4-3-7-14(15)16(20-21)17(22)19-10-13-6-5-9-24-13/h3-9,12H,10-11H2,1-2H3,(H,19,22)