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

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-3-yl]-3-(tetrahydrofurfuryl)thiourea Formula: C16H19BrN4OS MolecularWeight: 395.31726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC(OC1)CNC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H19BrN4OS/c17-13-5-3-12(4-6-13)11-21-8-7-15(20-21)19-16(23)18-10-14-2-1-9-22-14/h3-8,14H,1-2,9-11H2,(H2,18,19,20,23)