4,6-bis(4-chlorophenyl)-5-(phenylcarbonyl)-2-sulfanylidene-1,3-diazinane-5-carbonitrile

Systemtic Name: 4,6-bis(4-chlorophenyl)-5-(phenylcarbonyl)-2-sulfanylidene-1,3-diazinane-5-carbonitrile Openeye Name: 5-benzoyl-4,6-bis(4-chlorophenyl)-2-thioxo-hexahydropyrimidine-5-carbonitrile CAS Name: 5-benzoyl-4,6-bis(4-chlorophenyl)-2-sulfanylidene-1,3-diazinane-5-carbonitrile IUPAC Name: 5-benzoyl-4,6-bis(4-chlorophenyl)-2-sulfanylidene-1,3-diazinane-5-carbonitrile Traditional Name: 5-benzoyl-4,6-bis(4-chlorophenyl)-2-thioxo-hexahydropyrimidine-5-carbonitrile Formula: C24H17Cl2N3OS MolecularWeight: 466.38228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2(C(NC(=S)NC2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2(C(NC(=S)NC2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C24H17Cl2N3OS/c25-18-10-6-15(7-11-18)20-24(14-27,22(30)17-4-2-1-3-5-17)21(29-23(31)28-20)16-8-12-19(26)13-9-16/h1-13,20-21H,(H2,28,29,31)