3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 4-phenyl-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-methylphenyl)-5-(2-oxanylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 4-phenyl-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4CCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4CCCCO4

InChI

InChI=1S/C21H23N3OS/c1-16-10-12-17(13-11-16)20-22-23-21(24(20)18-7-3-2-4-8-18)26-15-19-9-5-6-14-25-19/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3