3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-ethylsulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-ethylsulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-ethylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(ethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-ethylsulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-(ethylthio)-4-phenyl-1,2,4-triazole Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=CC=C2)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC=C2)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C18H17N3O2S/c1-2-24-18-20-19-17(21(18)13-8-4-3-5-9-13)16-12-22-14-10-6-7-11-15(14)23-16/h3-11,16H,2,12H2,1H3/t16-/m1/s1