5-[[(3-methylphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(3-methylphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-methylanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-methylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-methylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(m-toluidinomethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)NC=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C12H11N3O2S/c1-7-3-2-4-8(5-7)13-6-9-10(16)14-12(18)15-11(9)17/h2-6,13H,1H3,(H2,14,15,16,17,18)