1-(2-methylphenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(o-tolyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-methylphenyl)-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(4-keto-3H-phthalazine-1-carbonyl)amino]-3-(o-tolyl)thiourea Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H15N5O2S/c1-10-6-2-5-9-13(10)18-17(25)22-21-16(24)14-11-7-3-4-8-12(11)15(23)20-19-14/h2-9H,1H3,(H,20,23)(H,21,24)(H2,18,22,25)