5-(4-tert-butylphenyl)sulfonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-4-amine

Systemtic Name: 5-(4-tert-butylphenyl)sulfonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-4-amine Openeye Name: 5-(4-tert-butylphenyl)sulfonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-amine CAS Name: 5-(4-tert-butylphenyl)sulfonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-triazolamine IUPAC Name: 5-(4-tert-butylphenyl)sulfonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-amine Traditional Name: [5-(4-tert-butylphenyl)sulfonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]amine Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)N

InChI

InChI=1S/C20H22N4O4S/c1-20(2,3)13-4-7-15(8-5-13)29(25,26)19-18(21)24(23-22-19)14-6-9-16-17(12-14)28-11-10-27-16/h4-9,12H,10-11,21H2,1-3H3