1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylazepane Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4CC4)C5CC5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4CC4)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4S2/c26-25(27)17-13-16(31(28,29)23-11-3-1-2-4-12-23)9-10-18(17)30-20-22-21-19(14-5-6-14)24(20)15-7-8-15/h9-10,13-15H,1-8,11-12H2