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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-cinnamylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-(cinnamylthio)-4-p-phenetyl-1,2,4-triazole Formula: C29H31N3OS MolecularWeight: 469.64094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H31N3OS/c1-5-33-26-19-17-25(18-20-26)32-27(23-13-15-24(16-14-23)29(2,3)4)30-31-28(32)34-21-9-12-22-10-7-6-8-11-22/h6-20H,5,21H2,1-4H3