1-chloranyl-5-methyl-6-methylsulfanyl-8-(phenylsulfonyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-5-methyl-6-methylsulfanyl-8-(phenylsulfonyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 8-(benzenesulfonyl)-1-chloro-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 8-(benzenesulfonyl)-1-chloro-5-methyl-6-(methylthio)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 8-(benzenesulfonyl)-1-chloro-5-methyl-6-methylsulfanyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 8-besyl-1-chloro-5-methyl-6-(methylthio)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C20H17ClN4O3S2 MolecularWeight: 460.95698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)SC

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)SC

InChI

InChI=1S/C20H17ClN4O3S2/c1-25-18-12(9-16(26)24-17-19(21)22-11-23-20(17)25)8-14(10-15(18)29-2)30(27,28)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,24,26)