3-(1,3-dioxan-4-ylmethylsulfanyl)-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-(1,3-dioxan-4-ylmethylsulfanyl)-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-(1,3-dioxan-4-ylmethylsulfanyl)-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-(1,3-dioxan-4-ylmethylthio)-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(1,3-dioxan-4-ylmethylsulfanyl)-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-(1,3-dioxan-4-ylmethylthio)-5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazole Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC4CCOCO4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC4CCOCO4

InChI

InChI=1S/C22H25N3O3S/c1-26-20-10-6-5-9-19(20)21-23-24-22(29-15-18-12-14-27-16-28-18)25(21)13-11-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3