1-cyclopropyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,3,4-tetrazole

Systemtic Name: 1-cyclopropyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,3,4-tetrazole Openeye Name: 1-cyclopropyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-tetrazole CAS Name: 1-cyclopropyl-5-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]tetrazole IUPAC Name: 1-cyclopropyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyltetrazole Traditional Name: 1-cyclopropyl-5-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]tetrazole Formula: C14H16N6O4S2 MolecularWeight: 396.44464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4CC4

InChI

InChI=1S/C14H16N6O4S2/c21-20(22)11-5-6-12(25-14-15-16-17-19(14)10-3-4-10)13(9-11)26(23,24)18-7-1-2-8-18/h5-6,9-10H,1-4,7-8H2