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

Systemtic Name: 4-chloranyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-chloro-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H11ClN4O3S MolecularWeight: 374.80154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O3S/c1-9-2-4-10(5-3-9)15-19-20-16(25-15)18-14(22)11-6-7-12(17)13(8-11)21(23)24/h2-8H,1H3,(H,18,20,22)