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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

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