3-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC=CN2

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC=CN2

InChI

InChI=1S/C11H14N4O2S/c1-2-6-15-10(17)13-14-11(15)18-7-9(16)8-4-3-5-12-8/h3-5,12H,2,6-7H2,1H3,(H,13,17)