2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)N)OC

InChI

InChI=1S/C12H13N3O3S2/c1-17-9-4-3-7(5-10(9)18-2)8(16)6-19-12-15-14-11(13)20-12/h3-5H,6H2,1-2H3,(H2,13,14)