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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-p-phenetyl-1,2,4-triazol-4-yl]amine Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C19H19ClN4O3S/c1-2-26-16-5-3-12(4-6-16)18-22-23-19(24(18)21)28-10-14-8-15(20)7-13-9-25-11-27-17(13)14/h3-8H,2,9-11,21H2,1H3