(1,6-diaminocarbonylcyclohexa-2,4-dien-1-yl)sulfanylmethyl thiocyanate

Systemtic Name: (1,6-diaminocarbonylcyclohexa-2,4-dien-1-yl)sulfanylmethyl thiocyanate Openeye Name: (1,6-dicarbamoylcyclohexa-2,4-dien-1-yl)sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [(1,6-dicarbamoyl-1-cyclohexa-2,4-dienyl)thio]methyl ester IUPAC Name: (1,6-dicarbamoylcyclohexa-2,4-dien-1-yl)sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [(1,6-dicarbamoylcyclohexa-2,4-dien-1-yl)thio]methyl ester Formula: C10H11N3O2S2 MolecularWeight: 269.34324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C=C1)(C(=O)N)SCSC#N)C(=O)N

Isomeric SMILES

C1=CC(C(C=C1)(C(=O)N)SCSC#N)C(=O)N

InChI

InChI=1S/C10H11N3O2S2/c11-5-16-6-17-10(9(13)15)4-2-1-3-7(10)8(12)14/h1-4,7H,6H2,(H2,12,14)(H2,13,15)