4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-26-19-8-3-2-7-18(19)20-23-24-21(28-14-17-6-4-5-13-27-17)25(20)16-11-9-15(22)10-12-16/h2-3,7-12,17H,4-6,13-14H2,1H3