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

Systemtic Name: 4-(4-methylphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-phenyl-4-(p-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-(2-oxanylmethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-(oxan-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-phenyl-4-(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)N2C(=NN=C2SCC3CCCCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CC=C4

InChI

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