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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-methyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Traditional Name: [3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-methyl-1,2,4-triazol-4-yl]amine Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=NN=C(N1N)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C12H13ClN4O2S/c1-7-15-16-12(17(7)14)20-5-9-3-10(13)2-8-4-18-6-19-11(8)9/h2-3H,4-6,14H2,1H3