N-[3-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1,2,4-thiadiazol-5-ylidene]-4-nitro-benzamide

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1,2,4-thiadiazol-5-ylidene]-4-nitro-benzamide Openeye Name: N-[2-benzyl-3-(p-tolylsulfonyl)-1,2,4-thiadiazol-5-ylidene]-4-nitro-benzamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1,2,4-thiadiazol-5-ylidene]-4-nitrobenzamide IUPAC Name: N-[2-benzyl-3-(4-methylphenyl)sulfonyl-1,2,4-thiadiazol-5-ylidene]-4-nitrobenzamide Traditional Name: N-(2-benzyl-3-tosyl-1,2,4-thiadiazol-5-ylidene)-4-nitro-benzamide Formula: C23H18N4O5S2 MolecularWeight: 494.54282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SN2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SN2CC4=CC=CC=C4

InChI

InChI=1S/C23H18N4O5S2/c1-16-7-13-20(14-8-16)34(31,32)23-25-22(33-26(23)15-17-5-3-2-4-6-17)24-21(28)18-9-11-19(12-10-18)27(29)30/h2-14H,15H2,1H3