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

Systemtic Name: 4-methyl-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-methyl-3-nitro-N-[5-[2-(p-tolylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-methyl-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-methyl-3-nitro-N-[5-(2-tosylethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S2/c1-12-3-7-15(8-4-12)30(27,28)10-9-17-21-22-19(29-17)20-18(24)14-6-5-13(2)16(11-14)23(25)26/h3-8,11H,9-10H2,1-2H3,(H,20,22,24)