4-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

Systemtic Name: 4-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[4-allyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-thiazole CAS Name: 4-[[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-2-phenylthiazole IUPAC Name: 4-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[[4-allyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-phenyl-thiazole Formula: C25H26N4OS2 MolecularWeight: 462.63014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4OS2/c1-3-5-16-30-22-13-11-19(12-14-22)23-27-28-25(29(23)15-4-2)32-18-21-17-31-24(26-21)20-9-7-6-8-10-20/h4,6-14,17H,2-3,5,15-16,18H2,1H3