3,4-dicyclopropyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazole

Systemtic Name: 3,4-dicyclopropyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazole Openeye Name: 3,4-dicyclopropyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazole CAS Name: 3,4-dicyclopropyl-5-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,2,4-triazole IUPAC Name: 3,4-dicyclopropyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,2,4-triazole Traditional Name: 3,4-dicyclopropyl-5-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1,2,4-triazole Formula: C18H21N5O4S2 MolecularWeight: 435.52044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C18H21N5O4S2/c24-23(25)14-7-8-15(16(11-14)29(26,27)21-9-1-2-10-21)28-18-20-19-17(12-3-4-12)22(18)13-5-6-13/h7-8,11-13H,1-6,9-10H2