3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(2-furylmethyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(2-furanylmethyl)-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(2-furfuryl)-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C28H27N3OS MolecularWeight: 453.59848

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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=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H27N3OS/c1-28(2,3)23-15-13-21(14-16-23)26-29-30-27(31(26)18-24-11-7-17-32-24)33-19-22-10-6-9-20-8-4-5-12-25(20)22/h4-17H,18-19H2,1-3H3