1-(4-methylphenyl)sulfonyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]urea Openeye Name: 1-[(4-oxo-3H-phthalazin-1-yl)methyl]-3-(p-tolylsulfonyl)urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea Traditional Name: 1-[(4-keto-3H-phthalazin-1-yl)methyl]-3-tosyl-urea Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H16N4O4S/c1-11-6-8-12(9-7-11)26(24,25)21-17(23)18-10-15-13-4-2-3-5-14(13)16(22)20-19-15/h2-9H,10H2,1H3,(H,20,22)(H2,18,21,23)