2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C23H23ClN4O2S MolecularWeight: 454.97232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-4-27-22(17-7-9-18(24)10-8-17)25-26-23(27)31-14-21(29)20-12-15(2)28(16(20)3)13-19-6-5-11-30-19/h5-12H,4,13-14H2,1-3H3