2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole Formula: C21H16N4O2S MolecularWeight: 388.44234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H16N4O2S/c1-14-16(11-12-26-14)20-23-24-21(25(20)15-7-3-2-4-8-15)28-13-19-22-17-9-5-6-10-18(17)27-19/h2-12H,13H2,1H3