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

Systemtic Name: 6-(phenylmethyl)-3-prop-2-enylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-allylsulfanyl-6-benzyl-1,2,4-triazin-5-olate CAS Name: 6-(phenylmethyl)-3-(prop-2-enylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-benzyl-3-prop-2-enylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-(allylthio)-6-benzyl-1,2,4-triazin-5-olate Formula: C13H12N3OS- MolecularWeight: 258.31888

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=C(N=N1)CC2=CC=CC=C2)[O-]

Isomeric SMILES

C=CCSC1=NC(=C(N=N1)CC2=CC=CC=C2)[O-]

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)/p-1