3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-cinnamylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-(cinnamylthio)-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC=CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC=CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3OS/c1-28(2,3)23-14-12-22(13-15-23)26-29-30-27(31(26)24-16-18-25(32-4)19-17-24)33-20-8-11-21-9-6-5-7-10-21/h5-19H,20H2,1-4H3