3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(E)-cinnamyl]sulfanyl-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(2-furanylmethyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[[(E)-cinnamyl]thio]-4-(2-furfuryl)-1,2,4-triazole Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC=CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS/c1-26(2,3)22-15-13-21(14-16-22)24-27-28-25(29(24)19-23-12-7-17-30-23)31-18-8-11-20-9-5-4-6-10-20/h4-17H,18-19H2,1-3H3/b11-8+