3-(2-oxidanylidenepropylsulfanyl)-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(2-oxidanylidenepropylsulfanyl)-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-acetonylsulfanyl-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-(2-oxopropylthio)-6-(3-pyridinylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-(2-oxopropylsulfanyl)-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(acetonylthio)-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=O)C(=NN1)CC2=CN=CC=C2

Isomeric SMILES

CC(=O)CSC1=NC(=O)C(=NN1)CC2=CN=CC=C2

InChI

InChI=1S/C12H12N4O2S/c1-8(17)7-19-12-14-11(18)10(15-16-12)5-9-3-2-4-13-6-9/h2-4,6H,5,7H2,1H3,(H,14,16,18)