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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-furyl)-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2-furanyl)-4-(2-furanylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-5-(2-furyl)-1,2,4-triazole Formula: C22H23N3O2S MolecularWeight: 393.50192

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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=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4

InChI

InChI=1S/C22H23N3O2S/c1-22(2,3)17-10-8-16(9-11-17)15-28-21-24-23-20(19-7-5-13-27-19)25(21)14-18-6-4-12-26-18/h4-13H,14-15H2,1-3H3