4-[3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]pyridine

Systemtic Name: 4-[3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]pyridine Openeye Name: 4-[3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]pyridine CAS Name: 4-[3-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-1H-1,2,4-triazol-5-yl]pyridine IUPAC Name: 4-[3-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1H-1,2,4-triazol-5-yl]pyridine Traditional Name: 4-[3-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1H-1,2,4-triazol-5-yl]pyridine 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=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C17H16N6O4S2/c24-23(25)13-3-4-14(15(11-13)29(26,27)22-9-1-2-10-22)28-17-19-16(20-21-17)12-5-7-18-8-6-12/h3-8,11H,1-2,9-10H2,(H,19,20,21)