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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN4OS/c1-12-17(21-18(25)20-10-16-4-3-9-24-16)13(2)23(22-12)11-14-5-7-15(19)8-6-14/h5-8,16H,3-4,9-11H2,1-2H3,(H2,20,21,25)