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

Systemtic Name: 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1,1-dibenzyl-3-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]thiourea Formula: C28H30N4S MolecularWeight: 454.6296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H30N4S/c1-21-12-10-11-17-26(21)20-32-23(3)27(22(2)30-32)29-28(33)31(18-24-13-6-4-7-14-24)19-25-15-8-5-9-16-25/h4-17H,18-20H2,1-3H3,(H,29,33)