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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C24H28ClN3OS MolecularWeight: 442.01662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3OS/c1-24(2,3)18-9-7-17(8-10-18)22-26-27-23(30-16-21-6-4-5-15-29-21)28(22)20-13-11-19(25)12-14-20/h7-14,21H,4-6,15-16H2,1-3H3