3-cyclohexyl-5-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-cyclohexyl-5-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-cyclohexyl-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-cyclohexyl-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-cyclohexyl-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-cyclohexyl-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C17H21FN4O2S MolecularWeight: 364.437643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C17H21FN4O2S/c18-14-6-12-8-23-10-24-15(12)13(7-14)9-25-17-21-20-16(22(17)19)11-4-2-1-3-5-11/h6-7,11H,1-5,8-10,19H2