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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-[(2,4-dinitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Openeye Name: 5-(3,4-dimethoxyphenyl)-3-[(2,4-dinitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one CAS Name: 5-(3,4-dimethoxyphenyl)-3-[(2,4-dinitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-[(2,4-dinitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Traditional Name: 5-(3,4-dimethoxyphenyl)-3-(2,4-dinitrobenzyl)-6H-1,3,4-thiadiazin-2-one Formula: C18H16N4O7S MolecularWeight: 432.40724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)SC2)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)SC2)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N4O7S/c1-28-16-6-4-11(7-17(16)29-2)14-10-30-18(23)20(19-14)9-12-3-5-13(21(24)25)8-15(12)22(26)27/h3-8H,9-10H2,1-2H3