2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoate

Systemtic Name: 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoate Openeye Name: 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoate CAS Name: 2-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]benzoate IUPAC Name: 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoate Traditional Name: 2-[(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)methyl]benzoate Formula: C17H11N4O2S- MolecularWeight: 335.35984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2)C(=O)[O-]

InChI

InChI=1S/C17H12N4O2S/c22-16(23)11-6-2-1-5-10(11)9-24-17-19-15-14(20-21-17)12-7-3-4-8-13(12)18-15/h1-8H,9H2,(H,22,23)(H,18,19,21)/p-1