2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-allyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetate IUPAC Name: 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-allyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetate Formula: C14H11N4O2S- MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)[O-]

Isomeric SMILES

C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c1-2-7-18-10-6-4-3-5-9(10)12-13(18)15-14(17-16-12)21-8-11(19)20/h2-6H,1,7-8H2,(H,19,20)/p-1