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

Systemtic Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S2/c23-16(11-8-13-4-2-1-3-5-13)19-17-20-21-18(27-17)26-12-14-6-9-15(10-7-14)22(24)25/h1-7,9-10H,8,11-12H2,(H,19,20,23)