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

Systemtic Name: N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S/c1-10-4-2-3-5-13(10)15-18-19-16(24-15)17-14(21)11-6-8-12(9-7-11)20(22)23/h2-9H,1H3,(H,17,19,21)