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

Systemtic Name: N-[5-(2-methylphenyl)carbonyl-2-nitro-phenyl]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: N-[5-(2-methylbenzoyl)-2-nitro-phenyl]-1,3,4-thiadiazole-2-sulfonamide CAS Name: N-[5-[(2-methylphenyl)-oxomethyl]-2-nitrophenyl]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: N-[5-(2-methylbenzoyl)-2-nitrophenyl]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: N-(2-nitro-5-o-toluoyl-phenyl)-1,3,4-thiadiazole-2-sulfonamide Formula: C16H12N4O5S2 MolecularWeight: 404.42028

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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=CS3

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=NN=CS3

InChI

InChI=1S/C16H12N4O5S2/c1-10-4-2-3-5-12(10)15(21)11-6-7-14(20(22)23)13(8-11)19-27(24,25)16-18-17-9-26-16/h2-9,19H,1H3