1-tert-butyl-3-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-tert-butyl-3-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]thiourea Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N6OS/c1-20(2,3)22-19(28)24-23-18(27)16-13-26(15-9-5-4-6-10-15)25-17(16)14-8-7-11-21-12-14/h4-13H,1-3H3,(H,23,27)(H2,22,24,28)