1-azanyl-3-[[1-(3-fluoranyl-4-pyrazol-1-yl-phenyl)-1,2,3-triazol-4-yl]methyl]thiourea

Systemtic Name: 1-azanyl-3-[[1-(3-fluoranyl-4-pyrazol-1-yl-phenyl)-1,2,3-triazol-4-yl]methyl]thiourea Openeye Name: 1-amino-3-[[1-(3-fluoro-4-pyrazol-1-yl-phenyl)triazol-4-yl]methyl]thiourea CAS Name: 1-amino-3-[[1-[3-fluoro-4-(1-pyrazolyl)phenyl]-4-triazolyl]methyl]thiourea IUPAC Name: 1-amino-3-[[1-(3-fluoro-4-pyrazol-1-ylphenyl)triazol-4-yl]methyl]thiourea Traditional Name: 1-amino-3-[[1-(3-fluoro-4-pyrazol-1-yl-phenyl)triazol-4-yl]methyl]thiourea Formula: C13H13FN8S MolecularWeight: 332.359323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)NN)F

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)NN)F

InChI

InChI=1S/C13H13FN8S/c14-11-6-10(2-3-12(11)21-5-1-4-17-21)22-8-9(19-20-22)7-16-13(23)18-15/h1-6,8H,7,15H2,(H2,16,18,23)