ethyl N-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]carbamate

Systemtic Name: ethyl N-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]carbamate Openeye Name: ethyl N-[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate CAS Name: N-[1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate Traditional Name: N-[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]carbamic acid ethyl ester Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C12H13N5O3S/c1-2-20-12(19)14-9(18)7-21-11-15-10(16-17-11)8-3-5-13-6-4-8/h3-6H,2,7H2,1H3,(H,14,18,19)(H,15,16,17)