1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-(2-methoxy-5-methyl-phenyl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NCCCN2C=C(C(=N2)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NCCCN2C=C(C(=N2)C)Br

InChI

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