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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Openeye Name: 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one CAS Name: 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)methyl]-6H-1,3,4-thiadiazin-2-one Traditional Name: 5-(3,4-dimethoxyphenyl)-3-(4-nitrobenzyl)-6H-1,3,4-thiadiazin-2-one Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-25-16-8-5-13(9-17(16)26-2)15-11-27-18(22)20(19-15)10-12-3-6-14(7-4-12)21(23)24/h3-9H,10-11H2,1-2H3