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

Systemtic Name: 1-[[5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Openeye Name: 1-[[5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine CAS Name: 1-[[5-[(2-methyl-3-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine IUPAC Name: 1-[[5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Traditional Name: 1-[[5-[(2-methyl-3-nitro-benzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C22H25N5O2S/c1-17-18(9-8-12-20(17)27(28)29)16-30-22-24-23-21(15-25-13-6-3-7-14-25)26(22)19-10-4-2-5-11-19/h2,4-5,8-12H,3,6-7,13-16H2,1H3