3-(4-methylsulfonylphenyl)sulfonylbicyclo[2.2.0]hexa-1,3,5-triene; 1-(1,2,4-triazol-4-yl)propan-2-ol

Systemtic Name: 3-(4-methylsulfonylphenyl)sulfonylbicyclo[2.2.0]hexa-1,3,5-triene; 1-(1,2,4-triazol-4-yl)propan-2-ol Openeye Name: 3-(4-methylsulfonylphenyl)sulfonylbicyclo[2.2.0]hexa-1,3,5-triene; 1-(1,2,4-triazol-4-yl)propan-2-ol CAS Name: 3-(4-methylsulfonylphenyl)sulfonylbicyclo[2.2.0]hexa-1,3,5-triene; 1-(1,2,4-triazol-4-yl)-2-propanol IUPAC Name: 3-(4-methylsulfonylphenyl)sulfonylbicyclo[2.2.0]hexa-1,3,5-triene; 1-(1,2,4-triazol-4-yl)propan-2-ol Traditional Name: 3-(4-mesylphenyl)sulfonylbicyclo[2.2.0]hexa-1,3,5-triene; 1-(1,2,4-triazol-4-yl)propan-2-ol Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NN=C1)O.CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC3=C2

Isomeric SMILES

CC(CN1C=NN=C1)O.CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC3=C2

InChI

InChI=1S/C13H10O4S2.C5H9N3O/c1-18(14,15)10-3-5-11(6-4-10)19(16,17)13-8-9-2-7-12(9)13;1-5(9)2-8-3-6-7-4-8/h2-8H,1H3;3-5,9H,2H2,1H3