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

Systemtic Name: 5-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-oxazole CAS Name: 5-phenyl-2-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]oxazole IUPAC Name: 5-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole Traditional Name: 2-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-oxazole Formula: C20H17N5OS MolecularWeight: 375.44688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC=C(O2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC=C(O2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C20H17N5OS/c1-2-12-25-19(16-8-10-21-11-9-16)23-24-20(25)27-14-18-22-13-17(26-18)15-6-4-3-5-7-15/h2-11,13H,1,12,14H2