1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]thiourea Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H16ClN5O2S/c1-9-7-10(2)14(13(19)8-9)20-18(27)24-23-17(26)15-11-5-3-4-6-12(11)16(25)22-21-15/h3-8H,1-2H3,(H,22,25)(H,23,26)(H2,20,24,27)