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

Systemtic Name: 1-ethyl-3-[[1-(3-fluoranyl-4-pyrazol-1-yl-phenyl)-1,2,3-triazol-4-yl]methyl]thiourea Openeye Name: 1-ethyl-3-[[1-(3-fluoro-4-pyrazol-1-yl-phenyl)triazol-4-yl]methyl]thiourea CAS Name: 1-ethyl-3-[[1-[3-fluoro-4-(1-pyrazolyl)phenyl]-4-triazolyl]methyl]thiourea IUPAC Name: 1-ethyl-3-[[1-(3-fluoro-4-pyrazol-1-ylphenyl)triazol-4-yl]methyl]thiourea Traditional Name: 1-ethyl-3-[[1-(3-fluoro-4-pyrazol-1-yl-phenyl)triazol-4-yl]methyl]thiourea Formula: C15H16FN7S MolecularWeight: 345.397843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCC1=CN(N=N1)C2=CC(=C(C=C2)N3C=CC=N3)F

Isomeric SMILES

CCNC(=S)NCC1=CN(N=N1)C2=CC(=C(C=C2)N3C=CC=N3)F

InChI

InChI=1S/C15H16FN7S/c1-2-17-15(24)18-9-11-10-23(21-20-11)12-4-5-14(13(16)8-12)22-7-3-6-19-22/h3-8,10H,2,9H2,1H3,(H2,17,18,24)