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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(C3=NNN=C3)NC(=S)N)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(C3=NNN=C3)NC(=S)N)F

InChI

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