5-methyl-N-[5-(2-methylphenyl)carbonyl-2-nitro-phenyl]-1,3,4-thiadiazole-2-sulfonamide

Systemtic Name: 5-methyl-N-[5-(2-methylphenyl)carbonyl-2-nitro-phenyl]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: 5-methyl-N-[5-(2-methylbenzoyl)-2-nitro-phenyl]-1,3,4-thiadiazole-2-sulfonamide CAS Name: 5-methyl-N-[5-[(2-methylphenyl)-oxomethyl]-2-nitrophenyl]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: 5-methyl-N-[5-(2-methylbenzoyl)-2-nitrophenyl]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: 5-methyl-N-(2-nitro-5-o-toluoyl-phenyl)-1,3,4-thiadiazole-2-sulfonamide Formula: C17H14N4O5S2 MolecularWeight: 418.44686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=NN=C(S3)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=NN=C(S3)C

InChI

InChI=1S/C17H14N4O5S2/c1-10-5-3-4-6-13(10)16(22)12-7-8-15(21(23)24)14(9-12)20-28(25,26)17-19-18-11(2)27-17/h3-9,20H,1-2H3