N-[[5-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[5-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-allyl-5-[2-(4-ethoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[4-allyl-5-[[2-(4-ethoxy-3-nitro-phenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C21H21N5O6S MolecularWeight: 471.48634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S/c1-3-9-25-19(12-22-20(28)18-6-5-10-32-18)23-24-21(25)33-13-16(27)14-7-8-17(31-4-2)15(11-14)26(29)30/h3,5-8,10-11H,1,4,9,12-13H2,2H3,(H,22,28)