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

Systemtic Name: S-methyl 5-(phenylmethylsulfanyl)-2-propanoylimino-1,3,4-thiadiazole-3-carbothioate Openeye Name: S-methyl 5-benzylsulfanyl-2-propanoylimino-1,3,4-thiadiazole-3-carbothioate CAS Name: 2-(1-oxopropylimino)-5-(phenylmethylthio)-1,3,4-thiadiazole-3-carbothioic acid S-methyl ester IUPAC Name: S-methyl 5-benzylsulfanyl-2-propanoylimino-1,3,4-thiadiazole-3-carbothioate Traditional Name: 5-(benzylthio)-2-propionylimino-1,3,4-thiadiazole-3-carbothioic acid S-methyl ester Formula: C14H15N3O2S3 MolecularWeight: 353.4828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2S3/c1-3-11(18)15-12-17(14(19)20-2)16-13(22-12)21-9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3