1-(4-bromanyl-2-chloranyl-phenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[(1,3-diphenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea Formula: C23H18BrClN4S MolecularWeight: 497.83782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NC3=C(C=C(C=C3)Br)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NC3=C(C=C(C=C3)Br)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H18BrClN4S/c24-18-11-12-21(20(25)13-18)27-23(30)26-14-17-15-29(19-9-5-2-6-10-19)28-22(17)16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,26,27,30)