4-[6-(4-chlorophenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[6-(4-chlorophenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[6-(4-chlorophenyl)-2-thioxo-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[6-(4-chlorophenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[6-(4-chlorophenyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[6-(4-chlorophenyl)-2-thioxo-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H11ClN2OS MolecularWeight: 314.78934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C=C(NC(=S)N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=O)C=CC1=C2C=C(NC(=S)N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN2OS/c17-12-5-1-10(2-6-12)14-9-15(19-16(21)18-14)11-3-7-13(20)8-4-11/h1-9H,(H2,18,19,21)