3-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazole Formula: C25H29Cl2N3S MolecularWeight: 474.48886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H29Cl2N3S/c1-25(2,3)18-11-9-17(10-12-18)16-31-24-29-28-23(21-14-13-19(26)15-22(21)27)30(24)20-7-5-4-6-8-20/h9-15,20H,4-8,16H2,1-3H3