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

Systemtic Name: 1-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-oxomethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(1-butyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-(4-fluorobenzyl)thiourea Formula: C17H21ClFN5OS MolecularWeight: 397.897943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NNC(=S)NCC2=CC=C(C=C2)F)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NNC(=S)NCC2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C17H21ClFN5OS/c1-3-4-9-24-15(18)14(11(2)23-24)16(25)21-22-17(26)20-10-12-5-7-13(19)8-6-12/h5-8H,3-4,9-10H2,1-2H3,(H,21,25)(H2,20,22,26)