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

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-furylmethyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 2-[5-[(4-tert-butylphenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyridine Formula: C23H24N4OS MolecularWeight: 404.52786

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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=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=N4

InChI

InChI=1S/C23H24N4OS/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-26-25-21(20-8-4-5-13-24-20)27(22)15-19-7-6-14-28-19/h4-14H,15-16H2,1-3H3