3-(2-methoxyphenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(2-methoxyphenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-methoxyphenyl)-4-phenyl-5-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-methoxyphenyl)-5-[[(2R)-2-oxanyl]methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2-methoxyphenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(2-methoxyphenyl)-4-phenyl-5-[[(2R)-tetrahydropyran-2-yl]methylthio]-1,2,4-triazole Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC4CCCCO4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SC[C@H]4CCCCO4

InChI

InChI=1S/C21H23N3O2S/c1-25-19-13-6-5-12-18(19)20-22-23-21(24(20)16-9-3-2-4-10-16)27-15-17-11-7-8-14-26-17/h2-6,9-10,12-13,17H,7-8,11,14-15H2,1H3/t17-/m1/s1