4-methyl-3-nitro-N-[5-(phenylsulfonylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[5-(phenylsulfonylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-(besylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C17H14N4O5S2 MolecularWeight: 418.44686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S2/c1-11-7-8-12(9-14(11)21(23)24)16(22)18-17-20-19-15(27-17)10-28(25,26)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,20,22)