1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-butylphenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-butylphenyl)thiourea CAS Name: 1-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-butylphenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-butylphenyl)thiourea Formula: C19H27BrN4S MolecularWeight: 423.41348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCCCN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCCCN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C19H27BrN4S/c1-4-5-7-16-8-10-17(11-9-16)22-19(25)21-12-6-13-24-15(3)18(20)14(2)23-24/h8-11H,4-7,12-13H2,1-3H3,(H2,21,22,25)