3-(3-chloranyl-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-(3-chlorobenzothiophen-2-yl)-5-[(E)-cinnamyl]sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-(3-chlorobenzothiophen-2-yl)-5-[[(E)-cinnamyl]thio]-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C26H20ClN3OS2 MolecularWeight: 490.0395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SC/C=C/C3=CC=CC=C3)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H20ClN3OS2/c1-31-20-15-13-19(14-16-20)30-25(24-23(27)21-11-5-6-12-22(21)33-24)28-29-26(30)32-17-7-10-18-8-3-2-4-9-18/h2-16H,17H2,1H3/b10-7+