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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-methoxyphenyl)thiourea Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=S)NC2=CC=C(C=C2)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=S)NC2=CC=C(C=C2)OC)C)Br

InChI

InChI=1S/C16H21BrN4OS/c1-11-15(17)12(2)21(20-11)10-4-9-18-16(23)19-13-5-7-14(22-3)8-6-13/h5-8H,4,9-10H2,1-3H3,(H2,18,19,23)