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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethoxyphenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethoxyphenyl)ethanone Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H14N4O3S/c1-18-7-3-4-10(19-2)8(5-7)9(17)6-20-12-14-11(13)15-16-12/h3-5H,6H2,1-2H3,(H3,13,14,15,16)