3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-cinnamylsulfanyl-5-[(4-methylphenoxy)methyl]-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(cinnamylthio)-5-[(4-methylphenoxy)methyl]-4-(p-tolyl)-1,2,4-triazole Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)COC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)COC4=CC=C(C=C4)C

InChI

InChI=1S/C26H25N3OS/c1-20-10-14-23(15-11-20)29-25(19-30-24-16-12-21(2)13-17-24)27-28-26(29)31-18-6-9-22-7-4-3-5-8-22/h3-17H,18-19H2,1-2H3