1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[1-(2-fluorobenzyl)pyrazol-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C17H23FN5OS+ MolecularWeight: 364.460823

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3F

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3F

InChI

InChI=1S/C17H22FN5OS/c18-16-4-2-1-3-14(16)12-23-13-15(11-20-23)21-17(25)19-5-6-22-7-9-24-10-8-22/h1-4,11,13H,5-10,12H2,(H2,19,21,25)/p+1