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

Systemtic Name: 4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoate Openeye Name: 4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoate CAS Name: 4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]benzoate IUPAC Name: 4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)benzoate Traditional Name: 4-[(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=C2C(=C1)C3=C(N2)N=C(N=N3)SCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC4=CC=C(C=C4)C(=O)[O-]

InChI

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