1-(1-adamantyl)-3-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]thiourea CAS Name: 1-(1-adamantyl)-3-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]thiourea Traditional Name: 1-(1-adamantyl)-3-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]thiourea Formula: C28H32N4S MolecularWeight: 456.64548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C28H32N4S/c1-19-7-9-23(10-8-19)26-24(18-32(31-26)25-5-3-2-4-6-25)17-29-27(33)30-28-14-20-11-21(15-28)13-22(12-20)16-28/h2-10,18,20-22H,11-17H2,1H3,(H2,29,30,33)