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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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