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

Systemtic Name: 1-pentyl-3-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-pentyl-3-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-[[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]-3-pentylthiourea IUPAC Name: 1-pentyl-3-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-amyl-3-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]thiourea Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6OS/c1-2-3-7-13-23-21(29)25-24-20(28)18-15-27(17-10-5-4-6-11-17)26-19(18)16-9-8-12-22-14-16/h4-6,8-12,14-15H,2-3,7,13H2,1H3,(H,24,28)(H2,23,25,29)