3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-[[(2R)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-[[(2R)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-methylsulfonyl-2-nitrophenyl)thio]-4-[[(2R)-2-oxolanyl]methyl]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-4-[[(2R)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-mesyl-2-nitro-phenyl)thio]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-(2-thienyl)-1,2,4-triazole Formula: C18H18N4O5S3 MolecularWeight: 466.55432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C[C@H]3CCCO3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S3/c1-30(25,26)13-6-7-15(14(10-13)22(23)24)29-18-20-19-17(16-5-3-9-28-16)21(18)11-12-4-2-8-27-12/h3,5-7,9-10,12H,2,4,8,11H2,1H3/t12-/m1/s1