5-(3-ethoxy-4-methoxy-phenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one

Systemtic Name: 5-(3-ethoxy-4-methoxy-phenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Openeye Name: 5-(3-ethoxy-4-methoxy-phenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one CAS Name: 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one IUPAC Name: 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Traditional Name: 5-(3-ethoxy-4-methoxy-phenyl)-3-(4-nitrobenzyl)-6H-1,3,4-thiadiazin-2-one Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NN(C(=O)SC2)CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NN(C(=O)SC2)CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N3O5S/c1-3-27-18-10-14(6-9-17(18)26-2)16-12-28-19(23)21(20-16)11-13-4-7-15(8-5-13)22(24)25/h4-10H,3,11-12H2,1-2H3