3-(quinolin-1-ium-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(quinolin-1-ium-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one Openeye Name: 3-(quinolin-1-ium-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one CAS Name: 3-[(2-quinolin-1-iumylthio)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-(quinolin-1-ium-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one Traditional Name: 3-[(quinolin-1-ium-2-ylthio)methyl]-1,2,3-benzotriazin-4-one Formula: C17H13N4OS+ MolecularWeight: 321.37632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=[NH+]2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=[NH+]2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H12N4OS/c22-17-13-6-2-4-8-15(13)19-20-21(17)11-23-16-10-9-12-5-1-3-7-14(12)18-16/h1-10H,11H2/p+1