S-methyl (2E)-2-methylsulfanylcarbonylimino-5-(phenylmethylsulfanyl)-1,3,4-thiadiazole-3-carbothioate

Systemtic Name: S-methyl (2E)-2-methylsulfanylcarbonylimino-5-(phenylmethylsulfanyl)-1,3,4-thiadiazole-3-carbothioate Openeye Name: S-methyl (2E)-5-benzylsulfanyl-2-methylsulfanylcarbonylimino-1,3,4-thiadiazole-3-carbothioate CAS Name: (2E)-2-[(methylthio)-oxomethyl]imino-5-(phenylmethylthio)-1,3,4-thiadiazole-3-carbothioic acid S-methyl ester IUPAC Name: S-methyl (2E)-5-benzylsulfanyl-2-methylsulfanylcarbonylimino-1,3,4-thiadiazole-3-carbothioate Traditional Name: (2E)-5-(benzylthio)-2-(methylthio)carbonylimino-1,3,4-thiadiazole-3-carbothioic acid S-methyl ester Formula: C13H13N3O2S4 MolecularWeight: 371.52122

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)N=C1N(N=C(S1)SCC2=CC=CC=C2)C(=O)SC

Isomeric SMILES

CSC(=O)/N=C/1\N(N=C(S1)SCC2=CC=CC=C2)C(=O)SC

InChI

InChI=1S/C13H13N3O2S4/c1-19-11(17)14-10-16(13(18)20-2)15-12(22-10)21-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/b14-10+