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

Systemtic Name: 1-[[1-(3-fluoranyl-4-morpholin-4-yl-phenyl)-1,2,3-triazol-4-yl]methyl]thiourea Openeye Name: [1-(3-fluoro-4-morpholino-phenyl)triazol-4-yl]methylthiourea CAS Name: [1-[3-fluoro-4-(4-morpholinyl)phenyl]-4-triazolyl]methylthiourea IUPAC Name: [1-(3-fluoro-4-morpholin-4-ylphenyl)triazol-4-yl]methylthiourea Traditional Name: [1-(3-fluoro-4-morpholino-phenyl)triazol-4-yl]methylthiourea Formula: C14H17FN6OS MolecularWeight: 336.387783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)N)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)N)F

InChI

InChI=1S/C14H17FN6OS/c15-12-7-11(1-2-13(12)20-3-5-22-6-4-20)21-9-10(18-19-21)8-17-14(16)23/h1-2,7,9H,3-6,8H2,(H3,16,17,23)