1-[4-ethoxy-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[3-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[3-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CC=C)C3=CC=CO3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CC=C)C3=CC=CO3

InChI

InChI=1S/C20H21N3O3S/c1-4-10-23-19(18-7-6-11-26-18)21-22-20(23)27-13-16-12-15(14(3)24)8-9-17(16)25-5-2/h4,6-9,11-12H,1,5,10,13H2,2-3H3