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

Systemtic Name: 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-5-ethylsulfanyl-1,2,4-triazol-3-amine Openeye Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-ethylsulfanyl-1,2,4-triazol-3-amine CAS Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-(ethylthio)-1,2,4-triazol-3-amine IUPAC Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-ethylsulfanyl-1,2,4-triazol-3-amine Traditional Name: [4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-(ethylthio)-1,2,4-triazol-3-yl]amine Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=C3C(=CC(=C2)Cl)COCO3)N

Isomeric SMILES

CCSC1=NN=C(N1CC2=C3C(=CC(=C2)Cl)COCO3)N

InChI

InChI=1S/C13H15ClN4O2S/c1-2-21-13-17-16-12(15)18(13)5-8-3-10(14)4-9-6-19-7-20-11(8)9/h3-4H,2,5-7H2,1H3,(H2,15,16)