2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)thio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]-5-pyrrolidinosulfonyl-pyridine Formula: C13H15N5O4S2 MolecularWeight: 369.4193

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4S2/c1-16-9-15-12(18(19)20)13(16)23-11-5-4-10(8-14-11)24(21,22)17-6-2-3-7-17/h4-5,8-9H,2-3,6-7H2,1H3