N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H20N6O5S2 MolecularWeight: 476.5293

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O5S2/c1-32(29,30)15-6-7-16(17(10-15)25(27)28)20-8-9-21-18(26)14-4-2-13(3-5-14)11-31-19-22-12-23-24-19/h2-7,10,12,20H,8-9,11H2,1H3,(H,21,26)(H,22,23,24)