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

Systemtic Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylazepane Formula: C19H25N5O4S2 MolecularWeight: 451.5629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S2/c25-24(26)16-13-15(30(27,28)23-11-5-1-2-6-12-23)9-10-17(16)29-19-20-18(21-22-19)14-7-3-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,20,21,22)