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

Systemtic Name: 2-methoxy-N-[[5-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide CAS Name: 2-methoxy-N-[[5-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-methoxy-N-[[5-[2-(4-methyl-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-(4-methyl-3-nitro-phenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O5S/c1-4-11-27-21(13-24-22(30)17-7-5-6-8-20(17)33-3)25-26-23(27)34-14-19(29)16-10-9-15(2)18(12-16)28(31)32/h4-10,12H,1,11,13-14H2,2-3H3,(H,24,30)