3-nitro-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-benzenesulfonamide

Systemtic Name: 3-nitro-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-benzenesulfonamide Openeye Name: 3-nitro-N-phenyl-4-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]benzenesulfonamide CAS Name: 3-nitro-4-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-phenylbenzenesulfonamide IUPAC Name: 3-nitro-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbenzenesulfonamide Traditional Name: 3-nitro-N-phenyl-4-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]benzenesulfonamide Formula: C23H21N5O5S3 MolecularWeight: 543.63834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C23H21N5O5S3/c29-28(30)19-14-18(36(31,32)26-16-6-2-1-3-7-16)10-11-20(19)35-23-25-24-22(21-9-5-13-34-21)27(23)15-17-8-4-12-33-17/h1-3,5-7,9-11,13-14,17,26H,4,8,12,15H2