3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1,1-bis(phenylmethyl)thiourea

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 3-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1,1-dibenzyl-3-[1-(4-chlorobenzyl)pyrazol-3-yl]thiourea Formula: C25H23ClN4S MolecularWeight: 446.99492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN4S/c26-23-13-11-22(12-14-23)19-30-16-15-24(28-30)27-25(31)29(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-16H,17-19H2,(H,27,28,31)