1-(4-bromanyl-2-chloranyl-phenyl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-(1-ethyl-3,5-dimethyl-4-pyrazolyl)thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea Formula: C14H16BrClN4S MolecularWeight: 387.72564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NC(=S)NC2=C(C=C(C=C2)Br)Cl)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NC(=S)NC2=C(C=C(C=C2)Br)Cl)C

InChI

InChI=1S/C14H16BrClN4S/c1-4-20-9(3)13(8(2)19-20)18-14(21)17-12-6-5-10(15)7-11(12)16/h5-7H,4H2,1-3H3,(H2,17,18,21)