1-tert-butyl-3-[(1,3-diphenylpyrazol-4-yl)carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[(1,3-diphenylpyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(1,3-diphenylpyrazole-4-carbonyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(1,3-diphenylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-tert-butyl-3-[(1,3-diphenylpyrazole-4-carbonyl)amino]thiourea Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c1-21(2,3)22-20(28)24-23-19(27)17-14-26(16-12-8-5-9-13-16)25-18(17)15-10-6-4-7-11-15/h4-14H,1-3H3,(H,23,27)(H2,22,24,28)