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

Systemtic Name: 1-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(tetrahydrofurfuryl)thiourea Formula: C18H23BrN4OS MolecularWeight: 423.37042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=S)NCC3CCCO3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=S)NCC3CCCO3)C)Br

InChI

InChI=1S/C18H23BrN4OS/c1-12-17(19)13(2)23(22-12)11-14-5-3-6-15(9-14)21-18(25)20-10-16-7-4-8-24-16/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3,(H2,20,21,25)