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

Systemtic Name: 2-[[4-azanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H17N5O4S MolecularWeight: 339.37018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC(=O)N

InChI

InChI=1S/C13H17N5O4S/c1-20-8-4-7(5-9(21-2)11(8)22-3)12-16-17-13(18(12)15)23-6-10(14)19/h4-5H,6,15H2,1-3H3,(H2,14,19)