S-[[5-(phenylsulfanylcarbamoylsulfanyl)-1,3,4-thiadiazol-2-yl]] N-phenylsulfanylcarbamothioate

Systemtic Name: S-[[5-(phenylsulfanylcarbamoylsulfanyl)-1,3,4-thiadiazol-2-yl]] N-phenylsulfanylcarbamothioate Openeye Name: S-[[5-(phenylsulfanylcarbamoylsulfanyl)-1,3,4-thiadiazol-2-yl]] N-phenylsulfanylcarbamothioate CAS Name: N-(phenylthio)carbamothioic acid S-[[5-[[oxo-[(phenylthio)amino]methyl]thio]-1,3,4-thiadiazol-2-yl]] ester IUPAC Name: S-[[5-(phenylsulfanylcarbamoylsulfanyl)-1,3,4-thiadiazol-2-yl]] N-phenylsulfanylcarbamothioate Traditional Name: N-(phenylthio)thiocarbamic acid S-[[5-[(phenylthio)carbamoylthio]-1,3,4-thiadiazol-2-yl]] ester Formula: C16H12N4O2S5 MolecularWeight: 452.61708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SNC(=O)SC2=NN=C(S2)SC(=O)NSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SNC(=O)SC2=NN=C(S2)SC(=O)NSC3=CC=CC=C3

InChI

InChI=1S/C16H12N4O2S5/c21-13(19-26-11-7-3-1-4-8-11)23-15-17-18-16(25-15)24-14(22)20-27-12-9-5-2-6-10-12/h1-10H,(H,19,21)(H,20,22)