1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-chloranyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(3-chloro-2-methylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(3-chloro-2-methyl-phenyl)thiourea Formula: C20H20BrClN4S MolecularWeight: 463.8216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H20BrClN4S/c1-12-17(22)5-4-6-18(12)23-20(27)24-19-13(2)25-26(14(19)3)11-15-7-9-16(21)10-8-15/h4-10H,11H2,1-3H3,(H2,23,24,27)