1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-hexyl-thiourea

Systemtic Name: 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-hexyl-thiourea Openeye Name: 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-hexyl-thiourea CAS Name: 1-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-3-hexylthiourea IUPAC Name: 1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-hexylthiourea Traditional Name: 1-[1-(3-fluorobenzyl)pyrazol-4-yl]-3-hexyl-thiourea Formula: C17H23FN4S MolecularWeight: 334.454723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=CN(N=C1)CC2=CC(=CC=C2)F

Isomeric SMILES

CCCCCCNC(=S)NC1=CN(N=C1)CC2=CC(=CC=C2)F

InChI

InChI=1S/C17H23FN4S/c1-2-3-4-5-9-19-17(23)21-16-11-20-22(13-16)12-14-7-6-8-15(18)10-14/h6-8,10-11,13H,2-5,9,12H2,1H3,(H2,19,21,23)