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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-[(2,3-dinitrophenyl)methyl]-6-ethyl-6H-1,3,4-thiadiazin-2-one Openeye Name: 5-(3,4-dimethoxyphenyl)-3-[(2,3-dinitrophenyl)methyl]-6-ethyl-6H-1,3,4-thiadiazin-2-one CAS Name: 5-(3,4-dimethoxyphenyl)-3-[(2,3-dinitrophenyl)methyl]-6-ethyl-6H-1,3,4-thiadiazin-2-one IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-[(2,3-dinitrophenyl)methyl]-6-ethyl-6H-1,3,4-thiadiazin-2-one Traditional Name: 5-(3,4-dimethoxyphenyl)-3-(2,3-dinitrobenzyl)-6-ethyl-6H-1,3,4-thiadiazin-2-one Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O7S/c1-4-17-18(12-8-9-15(30-2)16(10-12)31-3)21-22(20(25)32-17)11-13-6-5-7-14(23(26)27)19(13)24(28)29/h5-10,17H,4,11H2,1-3H3