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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-tert-butylphenyl)-4-(2-furanylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-tert-butylphenyl)-4-(2-furfuryl)-1,2,4-triazole Formula: C24H24BrN3OS MolecularWeight: 482.43586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H24BrN3OS/c1-24(2,3)19-10-8-18(9-11-19)22-26-27-23(28(22)15-21-5-4-14-29-21)30-16-17-6-12-20(25)13-7-17/h4-14H,15-16H2,1-3H3