5-[(3-methylquinoxalin-2-yl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[(3-methylquinoxalin-2-yl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[(3-methylquinoxalin-2-yl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[(3-methyl-2-quinoxalinyl)methylthio]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[(3-methylquinoxalin-2-yl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[(3-methylquinoxalin-2-yl)methylthio]methyl]-1H-1,2,4-triazol-3-olate Formula: C13H12N5OS- MolecularWeight: 286.33228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSCC3=NC(=NN3)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSCC3=NC(=NN3)[O-]

InChI

InChI=1S/C13H13N5OS/c1-8-11(6-20-7-12-16-13(19)18-17-12)15-10-5-3-2-4-9(10)14-8/h2-5H,6-7H2,1H3,(H2,16,17,18,19)/p-1