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

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

CC(C1=NN(C(=O)SC1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C1=NN(C(=O)SC1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H19N3O5S2/c1-13(15-5-9-17(10-6-15)29(2,26)27)18-12-28-19(23)21(20-18)11-14-3-7-16(8-4-14)22(24)25/h3-10,13H,11-12H2,1-2H3