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

Systemtic Name: 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-(p-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-(p-tolyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-15-5-11-18(12-6-15)25-20(16-7-9-17(22)10-8-16)23-24-21(25)27-14-19-4-2-3-13-26-19/h5-12,19H,2-4,13-14H2,1H3