3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(4-tert-butylphenyl)-4-(2-furfuryl)-1,2,4-triazole Formula: C28H33N3OS MolecularWeight: 459.64612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H33N3OS/c1-27(2,3)22-13-9-20(10-14-22)19-33-26-30-29-25(31(26)18-24-8-7-17-32-24)21-11-15-23(16-12-21)28(4,5)6/h7-17H,18-19H2,1-6H3