4-(4-ethoxyphenyl)-3-(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4-(4-ethoxyphenyl)-5-(p-tolyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(4-methylphenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4-p-phenetyl-5-(p-tolyl)-1,2,4-triazole Formula: C26H25N3OS MolecularWeight: 427.5612

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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

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H25N3OS/c1-3-30-24-17-15-23(16-18-24)29-25(22-13-11-20(2)12-14-22)27-28-26(29)31-19-7-10-21-8-5-4-6-9-21/h4-18H,3,19H2,1-2H3/b10-7+