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

Systemtic Name: 5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1-phenyl-tetrazole CAS Name: 5-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-1-phenyltetrazole IUPAC Name: 5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1-phenyltetrazole Traditional Name: 5-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1-phenyl-tetrazole Formula: C17H16N6O4S2 MolecularWeight: 432.47674

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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=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H16N6O4S2/c24-23(25)14-8-9-15(16(12-14)29(26,27)21-10-4-5-11-21)28-17-18-19-20-22(17)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2