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

Systemtic Name: 1-methyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,3,4-tetrazole Openeye Name: 1-methyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-tetrazole CAS Name: 1-methyl-5-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]tetrazole IUPAC Name: 1-methyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyltetrazole Traditional Name: 1-methyl-5-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]tetrazole Formula: C12H14N6O4S2 MolecularWeight: 370.40736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C12H14N6O4S2/c1-16-12(13-14-15-16)23-10-5-4-9(18(19)20)8-11(10)24(21,22)17-6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3