3-methyl-4-oxidanylidene-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]phthalazine-1-carboxamide Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)N4C=CNC4=S

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)N4C=CNC4=S

InChI

InChI=1S/C19H15N5O2S/c1-23-18(26)15-8-3-2-7-14(15)16(22-23)17(25)21-12-5-4-6-13(11-12)24-10-9-20-19(24)27/h2-11H,1H3,(H,20,27)(H,21,25)