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

Systemtic Name: 3-phenacylsulfanyl-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-phenacylsulfanyl-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-(phenacylthio)-6-(3-pyridinylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-phenacylsulfanyl-6-(pyridin-3-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(phenacylthio)-6-(3-pyridylmethyl)-2H-1,2,4-triazin-5-one Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=NN2)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=NN2)CC3=CN=CC=C3

InChI

InChI=1S/C17H14N4O2S/c22-15(13-6-2-1-3-7-13)11-24-17-19-16(23)14(20-21-17)9-12-5-4-8-18-10-12/h1-8,10H,9,11H2,(H,19,21,23)