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

Systemtic Name: 4-(4-chlorophenyl)-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-(4-methylphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-(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)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4CCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4CCCCO4

InChI

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