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

Systemtic Name: 1-[[5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Openeye Name: 1-[[5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine CAS Name: 1-[[5-[(2-methoxy-5-methylphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine IUPAC Name: 1-[[5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Traditional Name: 1-[[5-[(2-methoxy-5-methyl-benzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C23H28N4OS/c1-18-11-12-21(28-2)19(15-18)17-29-23-25-24-22(16-26-13-7-4-8-14-26)27(23)20-9-5-3-6-10-20/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3