1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(oxolan-2-ylmethyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

Isomeric SMILES

C1CC(OC1)CNC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C16H19BrN4OS/c17-13-8-19-21(11-13)10-12-3-1-4-14(7-12)20-16(23)18-9-15-5-2-6-22-15/h1,3-4,7-8,11,15H,2,5-6,9-10H2,(H2,18,20,23)