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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

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