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

Systemtic Name: 2-[[4-azanyl-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC(=O)NCC#C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC(=O)NCC#C)OC

InChI

InChI=1S/C15H17N5O3S/c1-4-7-17-13(21)9-24-15-19-18-14(20(15)16)11-6-5-10(22-2)8-12(11)23-3/h1,5-6,8H,7,9,16H2,2-3H3,(H,17,21)