3-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1,1-bis(phenylmethyl)thiourea

Systemtic Name: 3-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 3-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1,1-dibenzyl-3-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]thiourea Formula: C25H22BrClN4S MolecularWeight: 525.89098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC3=NN(C=C3Br)CC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC3=NN(C=C3Br)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H22BrClN4S/c26-22-18-31(17-21-13-7-8-14-23(21)27)29-24(22)28-25(32)30(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,18H,15-17H2,(H,28,29,32)