5-(5-fluoranyl-2,3,4,5,6,7-hexahydrobenzotriazol-1-yl)-4-prop-2-enyl-3H-1,3-benzothiazol-2-one

Systemtic Name: 5-(5-fluoranyl-2,3,4,5,6,7-hexahydrobenzotriazol-1-yl)-4-prop-2-enyl-3H-1,3-benzothiazol-2-one Openeye Name: 4-allyl-5-(5-fluoro-2,3,4,5,6,7-hexahydrobenzotriazol-1-yl)-3H-1,3-benzothiazol-2-one CAS Name: 5-(5-fluoro-2,3,4,5,6,7-hexahydrobenzotriazol-1-yl)-4-prop-2-enyl-3H-1,3-benzothiazol-2-one IUPAC Name: 5-(5-fluoro-2,3,4,5,6,7-hexahydrobenzotriazol-1-yl)-4-prop-2-enyl-3H-1,3-benzothiazol-2-one Traditional Name: 4-allyl-5-(5-fluoro-2,3,4,5,6,7-hexahydrobenzotriazol-1-yl)-3H-1,3-benzothiazol-2-one Formula: C16H17FN4OS MolecularWeight: 332.395783

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC2=C1NC(=O)S2)N3C4=C(CC(CC4)F)NN3

Isomeric SMILES

C=CCC1=C(C=CC2=C1NC(=O)S2)N3C4=C(CC(CC4)F)NN3

InChI

InChI=1S/C16H17FN4OS/c1-2-3-10-12(6-7-14-15(10)18-16(22)23-14)21-13-5-4-9(17)8-11(13)19-20-21/h2,6-7,9,19-20H,1,3-5,8H2,(H,18,22)