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

Systemtic Name: 6-(phenylmethyl)-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-(phenylmethyl)-3-(prop-2-ynylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-(propargylthio)-2H-1,2,4-triazin-5-one Formula: C13H11N3OS MolecularWeight: 257.31094

Click to see the large picture

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/C13H11N3OS/c1-2-8-18-13-14-12(17)11(15-16-13)9-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,14,16,17)