1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-butylphenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-butylphenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-butylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-4-yl]-3-(4-butylphenyl)thiourea Formula: C21H23BrN4S MolecularWeight: 443.40312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN4S/c1-2-3-4-16-7-11-19(12-8-16)24-21(27)25-20-13-23-26(15-20)14-17-5-9-18(22)10-6-17/h5-13,15H,2-4,14H2,1H3,(H2,24,25,27)