3-(3-isocyanophenyl)-8-methyl-2H-1,3-benzothiazin-3-ium

Systemtic Name: 3-(3-isocyanophenyl)-8-methyl-2H-1,3-benzothiazin-3-ium Openeye Name: 3-(3-isocyanophenyl)-8-methyl-2H-1,3-benzothiazin-3-ium CAS Name: 3-(3-isocyanophenyl)-8-methyl-2H-1,3-benzothiazin-3-ium IUPAC Name: 3-(3-isocyanophenyl)-8-methyl-2H-1,3-benzothiazin-3-ium Traditional Name: 3-(3-isocyanophenyl)-8-methyl-2H-1,3-benzothiazin-3-ium Formula: C16H13N2S+ MolecularWeight: 265.35282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC[N+](=C2)C3=CC=CC(=C3)[N+]#[C-]

Isomeric SMILES

CC1=CC=CC2=C1SC[N+](=C2)C3=CC=CC(=C3)[N+]#[C-]

InChI

InChI=1S/C16H13N2S/c1-12-5-3-6-13-10-18(11-19-16(12)13)15-8-4-7-14(9-15)17-2/h3-10H,11H2,1H3/q+1