3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methylthio]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-[(3,5-dimethylisoxazol-4-yl)methylthio]-2H-1,2,4-triazin-5-one Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC(=O)C(=NN2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC(=O)C(=NN2)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O2S/c1-10-13(11(2)22-20-10)9-23-16-17-15(21)14(18-19-16)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,19,21)