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

Systemtic Name: 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine Openeye Name: 5-benzylsulfanyl-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1,2,4-triazol-3-amine CAS Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-(phenylmethylthio)-1,2,4-triazol-3-amine IUPAC Name: 5-benzylsulfanyl-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1,2,4-triazol-3-amine Traditional Name: [5-(benzylthio)-4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1,2,4-triazol-3-yl]amine Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C(=NN=C3SCC4=CC=CC=C4)N)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C(=NN=C3SCC4=CC=CC=C4)N)Cl

InChI

InChI=1S/C18H17ClN4O2S/c19-15-6-13(16-14(7-15)9-24-11-25-16)8-23-17(20)21-22-18(23)26-10-12-4-2-1-3-5-12/h1-7H,8-11H2,(H2,20,21)