N-(4-methoxyphenyl)-1-[2-(2-pyridin-2-ylsulfanylethanoylamino)ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-1-[2-(2-pyridin-2-ylsulfanylethanoylamino)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-methoxyphenyl)-1-[2-[[2-(2-pyridylsulfanyl)acetyl]amino]ethyl]triazole-4-carboxamide CAS Name: N-(4-methoxyphenyl)-1-[2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]ethyl]-4-triazolecarboxamide IUPAC Name: N-(4-methoxyphenyl)-1-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]ethyl]triazole-4-carboxamide Traditional Name: N-(4-methoxyphenyl)-1-[2-[[2-(2-pyridylthio)acetyl]amino]ethyl]triazole-4-carboxamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CN(N=N2)CCNC(=O)CSC3=CC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CN(N=N2)CCNC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C19H20N6O3S/c1-28-15-7-5-14(6-8-15)22-19(27)16-12-25(24-23-16)11-10-20-17(26)13-29-18-4-2-3-9-21-18/h2-9,12H,10-11,13H2,1H3,(H,20,26)(H,22,27)