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

Systemtic Name: 2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)N)OC

InChI

InChI=1S/C12H15N5O3S/c1-19-8-4-3-7(5-9(8)20-2)11-15-16-12(17(11)14)21-6-10(13)18/h3-5H,6,14H2,1-2H3,(H2,13,18)