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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethylphenyl)sulfonyl-1,2,3-triazol-4-amine Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethylphenyl)sulfonyl-triazol-4-amine CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethylphenyl)sulfonyl-4-triazolamine IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethylphenyl)sulfonyltriazol-4-amine Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethylphenyl)sulfonyl-triazol-4-yl]amine Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)N)C

InChI

InChI=1S/C18H18N4O4S/c1-11-3-5-14(9-12(11)2)27(23,24)18-17(19)22(21-20-18)13-4-6-15-16(10-13)26-8-7-25-15/h3-6,9-10H,7-8,19H2,1-2H3