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

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxyethyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxyethyl)thiourea Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NCCOC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NCCOC

InChI

InChI=1S/C16H21BrN4OS/c1-11-15(19-16(23)18-8-9-22-3)12(2)21(20-11)10-13-4-6-14(17)7-5-13/h4-7H,8-10H2,1-3H3,(H2,18,19,23)