3-[2-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-1,1-bis(phenylmethyl)thiourea

Systemtic Name: 3-[2-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-[2-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]thiourea CAS Name: 3-[2-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-[2-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]thiourea Traditional Name: 1,1-dibenzyl-3-[2-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]thiourea Formula: C26H25ClN4S MolecularWeight: 461.0215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN4S/c1-20-16-25(31(29-20)19-23-12-14-24(27)15-13-23)28-26(32)30(17-21-8-4-2-5-9-21)18-22-10-6-3-7-11-22/h2-16H,17-19H2,1H3,(H,28,32)