8-[[3-butoxy-5-(4-chlorophenyl)-1,2,4-triazol-1-yl]sulfonyl]quinoline

Systemtic Name: 8-[[3-butoxy-5-(4-chlorophenyl)-1,2,4-triazol-1-yl]sulfonyl]quinoline Openeye Name: 8-[[3-butoxy-5-(4-chlorophenyl)-1,2,4-triazol-1-yl]sulfonyl]quinoline CAS Name: 8-[[3-butoxy-5-(4-chlorophenyl)-1,2,4-triazol-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[3-butoxy-5-(4-chlorophenyl)-1,2,4-triazol-1-yl]sulfonyl]quinoline Traditional Name: 8-[[3-butoxy-5-(4-chlorophenyl)-1,2,4-triazol-1-yl]sulfonyl]quinoline Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19ClN4O3S/c1-2-3-14-29-21-24-20(16-9-11-17(22)12-10-16)26(25-21)30(27,28)18-8-4-6-15-7-5-13-23-19(15)18/h4-13H,2-3,14H2,1H3