7-(4-methylsulfonylphenyl)-3-oxidanylidene-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile

Systemtic Name: 7-(4-methylsulfonylphenyl)-3-oxidanylidene-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile Openeye Name: 7-(4-methylsulfonylphenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile CAS Name: 7-(4-methylsulfonylphenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile IUPAC Name: 7-(4-methylsulfonylphenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile Traditional Name: 3-keto-7-(4-mesylphenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NCC3=NC(=O)C=CN3C4=C2C=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NCC3=NC(=O)C=CN3C4=C2C=C(C=C4)C#N

InChI

InChI=1S/C20H14N4O3S/c1-28(26,27)15-5-3-14(4-6-15)20-16-10-13(11-21)2-7-17(16)24-9-8-19(25)23-18(24)12-22-20/h2-10H,12H2,1H3