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

Systemtic Name: 3,4-bis(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3,4-bis(p-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3,4-bis(4-methylphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3,4-bis(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3,4-bis(p-tolyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-16-6-10-18(11-7-16)21-23-24-22(27-15-20-5-3-4-14-26-20)25(21)19-12-8-17(2)9-13-19/h6-13,20H,3-5,14-15H2,1-2H3