N-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3-nitro-benzamide Openeye Name: N-[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-nitro-benzamide CAS Name: N-[2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-nitrobenzamide Traditional Name: N-[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]-3-nitro-benzamide Formula: C21H15N5O5S MolecularWeight: 449.4393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C21H15N5O5S/c27-18(22-20(28)14-6-4-9-16(12-14)26(29)30)13-32-21-24-23-19(17-10-5-11-31-17)25(21)15-7-2-1-3-8-15/h1-12H,13H2,(H,22,27,28)