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

Systemtic Name: N-[5-[(4-chloranylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitro-benzamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O4S/c1-10-8-11(2-7-14(10)22(24)25)16(23)19-17-21-20-15(27-17)9-26-13-5-3-12(18)4-6-13/h2-8H,9H2,1H3,(H,19,21,23)