N-[(4E)-4-hydroxyimino-4-thiophen-2-yl-butyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(4E)-4-hydroxyimino-4-thiophen-2-yl-butyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(4E)-4-hydroxyimino-4-(2-thienyl)butyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(4E)-4-hydroxyimino-4-thiophen-2-ylbutyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(4E)-4-hydroxyimino-4-thiophen-2-ylbutyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(4E)-4-hydroximino-4-(2-thienyl)butyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC(=NO)C3=CC=CS3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC/C(=N\O)/C3=CC=CS3

InChI

InChI=1S/C18H18N4O3S/c1-22-18(24)13-7-3-2-6-12(13)16(20-22)17(23)19-10-4-8-14(21-25)15-9-5-11-26-15/h2-3,5-7,9,11,25H,4,8,10H2,1H3,(H,19,23)/b21-14+