1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-iodanyl-3-methyl-phenyl)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-iodanyl-3-methyl-phenyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-iodo-3-methyl-phenyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-iodo-3-methylphenyl)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-iodo-3-methylphenyl)thiourea Traditional Name: 1-(4-iodo-3-methyl-phenyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C19H19IN4OS MolecularWeight: 478.34983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)I

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)I

InChI

InChI=1S/C19H19IN4OS/c1-12-11-14(9-10-16(12)20)21-19(26)22-17-13(2)23(3)24(18(17)25)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,21,22,26)