2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C22H18ClN5O5S MolecularWeight: 499.92682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN5O5S/c1-32-19-11-16(28(30)31)8-9-18(19)24-20(29)13-34-22-26-25-21(14-4-6-15(23)7-5-14)27(22)12-17-3-2-10-33-17/h2-11H,12-13H2,1H3,(H,24,29)