1-[5-[(2-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-[5-[(2-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]piperidine Openeye Name: 1-[5-[(2-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]piperidine CAS Name: 1-[5-[(2-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[5-[(2-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]piperidine Traditional Name: 1-[5-[(2-nitrobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]piperidine Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2S/c26-25(27)18-12-6-5-9-16(18)15-28-20-22-21-19(23-13-7-2-8-14-23)24(20)17-10-3-1-4-11-17/h1,3-6,9-12H,2,7-8,13-15H2