3,6-bis(4-chlorophenyl)-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 3,6-bis(4-chlorophenyl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3,6-bis(4-chlorophenyl)-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3,6-bis(4-chlorophenyl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3,6-bis(4-chlorophenyl)-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3,6-bis(4-chlorophenyl)-2-thioxo-hexahydropyrimidin-4-one Formula: C16H12Cl2N2OS MolecularWeight: 351.25028

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=S)N(C1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C(NC(=S)N(C1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12Cl2N2OS/c17-11-3-1-10(2-4-11)14-9-15(21)20(16(22)19-14)13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,22)