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

Systemtic Name: 3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 5-isopropyl-3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 3-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 5-isopropyl-3-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1H-1,2,4-triazole Formula: C15H19N5O4S2 MolecularWeight: 397.47246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C15H19N5O4S2/c1-10(2)14-16-15(18-17-14)25-12-6-5-11(20(21)22)9-13(12)26(23,24)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17,18)