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

Systemtic Name: 5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1-propan-2-yl-1,2,3,4-tetrazole Openeye Name: 1-isopropyl-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-tetrazole CAS Name: 5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1-propan-2-yltetrazole IUPAC Name: 5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1-propan-2-yltetrazole Traditional Name: 1-isopropyl-5-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]tetrazole Formula: C14H18N6O4S2 MolecularWeight: 398.46052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O4S2/c1-10(2)19-14(15-16-17-19)25-13-6-5-11(9-12(13)20(21)22)26(23,24)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3