3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-1,3,4-oxadiazol-2-one Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-1,3,4-oxadiazol-2-one IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazol-2-one Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one Formula: C19H14ClN3O6S2 MolecularWeight: 479.91396

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C3=NN(C(=O)O3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C3=NN(C(=O)O3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C19H14ClN3O6S2/c1-31(25,26)15-9-30-17(16(15)22-4-2-3-5-22)18-21-23(19(24)29-18)8-11-6-13-14(7-12(11)20)28-10-27-13/h2-7,9H,8,10H2,1H3