1-(4-bromophenyl)-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(4-bromophenyl)-3-[1-(p-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(4-bromophenyl)-3-[1-[(4-methylphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(4-bromophenyl)-3-[1-(4-methylbenzyl)pyrazol-4-yl]thiourea Formula: C18H17BrN4S MolecularWeight: 401.32338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4S/c1-13-2-4-14(5-3-13)11-23-12-17(10-20-23)22-18(24)21-16-8-6-15(19)7-9-16/h2-10,12H,11H2,1H3,(H2,21,22,24)