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

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: 1-benzyl-3-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiourea Formula: C20H21BrN4S MolecularWeight: 429.37654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4S/c1-14-19(23-20(26)22-12-16-6-4-3-5-7-16)15(2)25(24-14)13-17-8-10-18(21)11-9-17/h3-11H,12-13H2,1-2H3,(H2,22,23,26)