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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(2-furylmethyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(2-furanylmethyl)-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(2-furfuryl)-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H27N3OS/c1-18-7-9-19(10-8-18)17-30-24-27-26-23(28(24)16-22-6-5-15-29-22)20-11-13-21(14-12-20)25(2,3)4/h5-15H,16-17H2,1-4H3