3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazole Formula: C23H26ClN3OS MolecularWeight: 427.99004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CC3)COC4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CC3)COC4=CC=CC=C4Cl

InChI

InChI=1S/C23H26ClN3OS/c1-23(2,3)17-10-8-16(9-11-17)15-29-22-26-25-21(27(22)18-12-13-18)14-28-20-7-5-4-6-19(20)24/h4-11,18H,12-15H2,1-3H3