1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-propyl-thiourea

Systemtic Name: 1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-propyl-thiourea Openeye Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-propyl-thiourea CAS Name: 1-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-propylthiourea IUPAC Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-propylthiourea Traditional Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-propyl-thiourea Formula: C14H17BrN4S MolecularWeight: 353.28058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=CC=CC(=C1)CN2C=C(C=N2)Br

Isomeric SMILES

CCCNC(=S)NC1=CC=CC(=C1)CN2C=C(C=N2)Br

InChI

InChI=1S/C14H17BrN4S/c1-2-6-16-14(20)18-13-5-3-4-11(7-13)9-19-10-12(15)8-17-19/h3-5,7-8,10H,2,6,9H2,1H3,(H2,16,18,20)