4-methoxy-N-[[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-methoxy-N-[[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: 4-methoxy-N-[[5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[[5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5S/c1-3-11-26-20(13-23-21(29)15-7-9-18(32-2)10-8-15)24-25-22(26)33-14-19(28)16-5-4-6-17(12-16)27(30)31/h3-10,12H,1,11,13-14H2,2H3,(H,23,29)