2-(4-bromanyl-3-methoxy-phenyl)-6-methoxy-4-prop-2-ynyl-1,2,4,6-thiatriazinane-3,5-dione

Systemtic Name: 2-(4-bromanyl-3-methoxy-phenyl)-6-methoxy-4-prop-2-ynyl-1,2,4,6-thiatriazinane-3,5-dione Openeye Name: 2-(4-bromo-3-methoxy-phenyl)-6-methoxy-4-prop-2-ynyl-1,2,4,6-thiatriazinane-3,5-dione CAS Name: 2-(4-bromo-3-methoxyphenyl)-6-methoxy-4-prop-2-ynyl-1,2,4,6-thiatriazinane-3,5-dione IUPAC Name: 2-(4-bromo-3-methoxyphenyl)-6-methoxy-4-prop-2-ynyl-1,2,4,6-thiatriazinane-3,5-dione Traditional Name: 2-(4-bromo-3-methoxy-phenyl)-6-methoxy-4-propargyl-1,2,4,6-thiatriazinane-3,5-quinone Formula: C13H12BrN3O4S MolecularWeight: 386.22108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=O)N(C(=O)N(S2)OC)CC#C)Br

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)N(C(=O)N(S2)OC)CC#C)Br

InChI

InChI=1S/C13H12BrN3O4S/c1-4-7-15-12(18)16(22-17(21-3)13(15)19)9-5-6-10(14)11(8-9)20-2/h1,5-6,8H,7H2,2-3H3