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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=C3C(=CC(=C2)Cl)COCO3)N

Isomeric SMILES

CSC1=NN=C(N1CC2=C3C(=CC(=C2)Cl)COCO3)N

InChI

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