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

Systemtic Name: 6-(phenylmethyl)-3-prop-2-enylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 3-allylsulfanyl-6-benzyl-2H-1,2,4-triazin-5-one CAS Name: 6-(phenylmethyl)-3-(prop-2-enylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-prop-2-enylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(allylthio)-6-benzyl-2H-1,2,4-triazin-5-one Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C(=NN1)CC2=CC=CC=C2

Isomeric SMILES

C=CCSC1=NC(=O)C(=NN1)CC2=CC=CC=C2

InChI

InChI=1S/C13H13N3OS/c1-2-8-18-13-14-12(17)11(15-16-13)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,16,17)