1-(4-bromanyl-2-chloranyl-phenyl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiourea Formula: C23H20BrClN4S MolecularWeight: 499.8537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=S)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C23H20BrClN4S/c1-14-22(27-23(30)26-21-11-10-18(24)12-20(21)25)15(2)29(28-14)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-12H,13H2,1-2H3,(H2,26,27,30)