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

Systemtic Name: 3-methyl-N-[[5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[[5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[5-[2-(4-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-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4S/c1-3-11-26-20(13-23-21(29)17-6-4-5-15(2)12-17)24-25-22(26)32-14-19(28)16-7-9-18(10-8-16)27(30)31/h3-10,12H,1,11,13-14H2,2H3,(H,23,29)