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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(3,4,5-trimethoxyphenyl)ethanone Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CSC2=NN=C(S2)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C13H15N3O4S2/c1-18-9-4-7(5-10(19-2)11(9)20-3)8(17)6-21-13-16-15-12(14)22-13/h4-5H,6H2,1-3H3,(H2,14,15)