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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(2-furyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(4-ethoxyphenyl)-5-(2-furanyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(2-furyl)-4-p-phenetyl-1,2,4-triazole Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC=CO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC=CO4

InChI

InChI=1S/C25H27N3O2S/c1-5-29-21-14-12-20(13-15-21)28-23(22-7-6-16-30-22)26-27-24(28)31-17-18-8-10-19(11-9-18)25(2,3)4/h6-16H,5,17H2,1-4H3