5-(2,4-dimethylphenyl)-2-sulfanylidene-1,3,5-thiadiazepan-6-one

Systemtic Name: 5-(2,4-dimethylphenyl)-2-sulfanylidene-1,3,5-thiadiazepan-6-one Openeye Name: 5-(2,4-dimethylphenyl)-2-thioxo-1,3,5-thiadiazepan-6-one CAS Name: 5-(2,4-dimethylphenyl)-2-sulfanylidene-1,3,5-thiadiazepan-6-one IUPAC Name: 5-(2,4-dimethylphenyl)-2-sulfanylidene-1,3,5-thiadiazepan-6-one Traditional Name: 5-(2,4-dimethylphenyl)-2-thioxo-1,3,5-thiadiazepan-6-one Formula: C12H14N2OS2 MolecularWeight: 266.38236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CNC(=S)SCC2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CNC(=S)SCC2=O)C

InChI

InChI=1S/C12H14N2OS2/c1-8-3-4-10(9(2)5-8)14-7-13-12(16)17-6-11(14)15/h3-5H,6-7H2,1-2H3,(H,13,16)