6-ethyl-5-(4-methylsulfonylphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one

Systemtic Name: 6-ethyl-5-(4-methylsulfonylphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Openeye Name: 6-ethyl-5-(4-methylsulfonylphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one CAS Name: 6-ethyl-5-(4-methylsulfonylphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one IUPAC Name: 6-ethyl-5-(4-methylsulfonylphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Traditional Name: 6-ethyl-5-(4-mesylphenyl)-3-(4-nitrobenzyl)-6H-1,3,4-thiadiazin-2-one Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H19N3O5S2/c1-3-17-18(14-6-10-16(11-7-14)29(2,26)27)20-21(19(23)28-17)12-13-4-8-15(9-5-13)22(24)25/h4-11,17H,3,12H2,1-2H3