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

Systemtic Name: 6-(phenylmethyl)-3-propylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-propylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-(phenylmethyl)-3-(propylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-propylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-(propylthio)-2H-1,2,4-triazin-5-one Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=NN1)CC2=CC=CC=C2

Isomeric SMILES

CCCSC1=NC(=O)C(=NN1)CC2=CC=CC=C2

InChI

InChI=1S/C13H15N3OS/c1-2-8-18-13-14-12(17)11(15-16-13)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,16,17)