1-methyl-2-(phenylmethyl)-3-sulfanyl-imidazo[1,5-a]indol-2-ium-4-one

Systemtic Name: 1-methyl-2-(phenylmethyl)-3-sulfanyl-imidazo[1,5-a]indol-2-ium-4-one Openeye Name: 2-benzyl-1-methyl-3-sulfanyl-imidazo[1,5-a]indol-2-ium-4-one CAS Name: 3-mercapto-1-methyl-2-(phenylmethyl)-4-imidazo[1,5-a]indol-2-iumone IUPAC Name: 2-benzyl-1-methyl-3-sulfanylimidazo[1,5-a]indol-2-ium-4-one Traditional Name: 2-benzyl-3-mercapto-1-methyl-imidaz[1,5-a]indol-2-ium-4-one Formula: C18H15N2OS+ MolecularWeight: 307.3895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C2N1C3=CC=CC=C3C2=O)S)CC4=CC=CC=C4

Isomeric SMILES

CC1=[N+](C(=C2N1C3=CC=CC=C3C2=O)S)CC4=CC=CC=C4

InChI

InChI=1S/C18H14N2OS/c1-12-19(11-13-7-3-2-4-8-13)18(22)16-17(21)14-9-5-6-10-15(14)20(12)16/h2-10H,11H2,1H3/p+1