2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate CAS Name: 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetate IUPAC Name: 2-[(8-ethyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate Traditional Name: 2-[(8-ethyl-5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetate Formula: C14H13N4O2S- MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC(=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC(=O)[O-])C

InChI

InChI=1S/C14H14N4O2S/c1-3-8-4-5-10-9(6-8)12-13(18(10)2)15-14(17-16-12)21-7-11(19)20/h4-6H,3,7H2,1-2H3,(H,19,20)/p-1