2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1H-quinazolin-4-one

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1H-quinazolin-4-one Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1H-quinazolin-4-one CAS Name: 2-(1H-benzimidazol-3-ium-2-ylmethylthio)-1H-quinazolin-4-one IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1H-quinazolin-4-one Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylmethylthio)-1H-quinazolin-4-one Formula: C16H13N4OS+ MolecularWeight: 309.36562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C16H12N4OS/c21-15-10-5-1-2-6-11(10)19-16(20-15)22-9-14-17-12-7-3-4-8-13(12)18-14/h1-8H,9H2,(H,17,18)(H,19,20,21)/p+1