2-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid IUPAC Name: 2-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(6-methyl-5H-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetic acid Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC3=C2N=NC(=N3)SCC(=O)O

Isomeric SMILES

CC1=CC=CC2=C1NC3=C2N=NC(=N3)SCC(=O)O

InChI

InChI=1S/C12H10N4O2S/c1-6-3-2-4-7-9(6)13-11-10(7)15-16-12(14-11)19-5-8(17)18/h2-4H,5H2,1H3,(H,17,18)(H,13,14,16)