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

Systemtic Name: 3-cyclopropyl-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-cyclopropyl-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-cyclopropyl-5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-cyclopropyl-5-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-4-phenyl-1,2,4-triazole Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S2/c27-26(28)18-14-17(32(29,30)24-12-4-5-13-24)10-11-19(18)31-21-23-22-20(15-8-9-15)25(21)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15H,4-5,8-9,12-13H2