1-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)carbonylamino]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)carbonylamino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-oxomethyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[(1-butyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-(4-fluorophenyl)thiourea Formula: C16H19ClFN5OS MolecularWeight: 383.871363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NNC(=S)NC2=CC=C(C=C2)F)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NNC(=S)NC2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C16H19ClFN5OS/c1-3-4-9-23-14(17)13(10(2)22-23)15(24)20-21-16(25)19-12-7-5-11(18)6-8-12/h5-8H,3-4,9H2,1-2H3,(H,20,24)(H2,19,21,25)