3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole Formula: C22H26ClN3OS MolecularWeight: 415.97934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCOC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCOC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3OS/c1-22(2,3)18-9-5-16(6-10-18)15-28-21-25-24-20(26(21)13-14-27-4)17-7-11-19(23)12-8-17/h5-12H,13-15H2,1-4H3