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

Systemtic Name: 1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-butyl-thiourea Openeye Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-butyl-thiourea CAS Name: 1-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-butylthiourea IUPAC Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-butylthiourea Traditional Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-butyl-thiourea Formula: C15H19BrN4S MolecularWeight: 367.30716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN4S/c1-2-3-7-17-15(21)19-14-6-4-5-12(8-14)10-20-11-13(16)9-18-20/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,17,19,21)