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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-amine Traditional Name: [3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]amine Formula: C14H15ClN4O2S MolecularWeight: 338.8125

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C14H15ClN4O2S/c15-11-3-9-5-20-7-21-12(9)10(4-11)6-22-14-18-17-13(19(14)16)8-1-2-8/h3-4,8H,1-2,5-7,16H2