1-[1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]thiourea

Systemtic Name: 1-[1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: [1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: [1-(3-bromophenyl)-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: [1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: [1-(3-bromophenyl)-3,5-dimethyl-pyrazol-4-yl]thiourea Formula: C12H13BrN4S MolecularWeight: 325.22742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)Br)C)NC(=S)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)Br)C)NC(=S)N

InChI

InChI=1S/C12H13BrN4S/c1-7-11(15-12(14)18)8(2)17(16-7)10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H3,14,15,18)