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

Systemtic Name: 1-[3-(4-bromophenyl)-2-chloranyl-propyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[3-(4-bromophenyl)-2-chloro-propyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[3-(4-bromophenyl)-2-chloropropyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[3-(4-bromophenyl)-2-chloropropyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[3-(4-bromophenyl)-2-chloro-propyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C21H22BrClN4OS MolecularWeight: 493.84758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC(CC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC(CC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C21H22BrClN4OS/c1-14-19(20(28)27(26(14)2)18-6-4-3-5-7-18)25-21(29)24-13-17(23)12-15-8-10-16(22)11-9-15/h3-11,17H,12-13H2,1-2H3,(H2,24,25,29)