3-pentylsulfanyl-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-pentylsulfanyl-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-pentylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 3-(pentylthio)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-pentylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(amylthio)-6-benzyl-2H-1,2,4-triazin-5-one Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=NN1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCSC1=NC(=O)C(=NN1)CC2=CC=CC=C2

InChI

InChI=1S/C15H19N3OS/c1-2-3-7-10-20-15-16-14(19)13(17-18-15)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,16,18,19)