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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H16N6O4S MolecularWeight: 460.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H16N6O4S/c23-12-16-11-17(28(30)31)8-9-19(16)24-20(29)14-33-22-26-25-21(15-5-2-1-3-6-15)27(22)13-18-7-4-10-32-18/h1-11H,13-14H2,(H,24,29)