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

Systemtic Name: 3-(2-chlorophenyl)-4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(2-chlorophenyl)-4-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-4-(4-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-4-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(2-chlorophenyl)-4-(4-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=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=CC=C4Cl

InChI

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