1-[2-chloranyl-3-(4-methylphenyl)propyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-[2-chloranyl-3-(4-methylphenyl)propyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[2-chloro-3-(p-tolyl)propyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[2-chloro-3-(4-methylphenyl)propyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[2-chloro-3-(4-methylphenyl)propyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[2-chloro-3-(p-tolyl)propyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CNC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CC(CNC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)Cl

InChI

InChI=1S/C22H25ClN4OS/c1-15-9-11-17(12-10-15)13-18(23)14-24-22(29)25-20-16(2)26(3)27(21(20)28)19-7-5-4-6-8-19/h4-12,18H,13-14H2,1-3H3,(H2,24,25,29)