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

Systemtic Name: 3-methyl-N-[[4-methyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-methyl-N-[[4-methyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-methyl-N-[[4-methyl-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-13-5-3-7-15(9-13)19(27)21-11-18-22-23-20(24(18)2)30-12-17(26)14-6-4-8-16(10-14)25(28)29/h3-10H,11-12H2,1-2H3,(H,21,27)