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

Systemtic Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide CAS Name: N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(benzylthio)-N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]acetamide Formula: C18H16N4O3S3 MolecularWeight: 432.53964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S3/c23-16(12-26-10-13-4-2-1-3-5-13)19-17-20-21-18(28-17)27-11-14-6-8-15(9-7-14)22(24)25/h1-9H,10-12H2,(H,19,20,23)