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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C)C

InChI

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