1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine

Systemtic Name: 1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Openeye Name: 1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine CAS Name: 1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperidine IUPAC Name: 1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonyl-4-methylpiperidine Traditional Name: 1-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O4S2/c1-16-11-13-26(14-12-16)34(31,32)19-9-10-21(20(15-19)28(29)30)33-23-25-24-22(17-7-8-17)27(23)18-5-3-2-4-6-18/h2-6,9-10,15-17H,7-8,11-14H2,1H3