6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[(E)-cinnamyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[(E)-cinnamyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C13H12N3OS- MolecularWeight: 258.31888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC=CC2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SC/C=C/C2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H13N3OS/c1-10-12(17)14-13(16-15-10)18-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3,(H,14,16,17)/p-1/b8-5+