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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-furylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(2-furanylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C25H27N3O2S MolecularWeight: 433.56578

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2S/c1-25(2,3)20-11-7-18(8-12-20)17-31-24-27-26-23(19-9-13-21(29-4)14-10-19)28(24)16-22-6-5-15-30-22/h5-15H,16-17H2,1-4H3