N-[5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide

Systemtic Name: N-[5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-[(2-chloro-6-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: N-[5-[(2-chloro-6-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C18H15ClN4O3S2 MolecularWeight: 434.9197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O3S2/c19-14-7-4-8-15(23(25)26)13(14)11-27-18-22-21-17(28-18)20-16(24)10-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,21,24)