3-[2-(4-ethylphenoxy)ethylsulfanyl]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-(4-ethylphenoxy)ethylsulfanyl]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-[2-(4-ethylphenoxy)ethylsulfanyl]-2H-1,2,4-triazin-5-one CAS Name: 3-[2-(4-ethylphenoxy)ethylthio]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-[2-(4-ethylphenoxy)ethylsulfanyl]-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-[2-(4-ethylphenoxy)ethylthio]-2H-1,2,4-triazin-5-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCSC2=NC(=O)C(=NN2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)OCCSC2=NC(=O)C(=NN2)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-2-15-8-10-17(11-9-15)25-12-13-26-20-21-19(24)18(22-23-20)14-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,21,23,24)