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

Systemtic Name: 3-[4,5-dimethyl-1-(phenylmethyl)pyrazol-3-yl]-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-(1-benzyl-4,5-dimethyl-pyrazol-3-yl)thiourea CAS Name: 3-[4,5-dimethyl-1-(phenylmethyl)-3-pyrazolyl]-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-(1-benzyl-4,5-dimethylpyrazol-3-yl)thiourea Traditional Name: 1,1-dibenzyl-3-(1-benzyl-4,5-dimethyl-pyrazol-3-yl)thiourea Formula: C27H28N4S MolecularWeight: 440.60302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(N=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4S/c1-21-22(2)31(20-25-16-10-5-11-17-25)29-26(21)28-27(32)30(18-23-12-6-3-7-13-23)19-24-14-8-4-9-15-24/h3-17H,18-20H2,1-2H3,(H,28,29,32)