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

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]thiourea Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O2S/c1-10-8-11(2)15(14(20)9-10)21-19(28)23-22-17(26)16-12-6-4-5-7-13(12)18(27)25(3)24-16/h4-9H,1-3H3,(H,22,26)(H2,21,23,28)