6-chloranyl-2-(methylsulfanylmethyl)-3-oxidanidyl-4-phenyl-quinazolin-3-ium

Systemtic Name: 6-chloranyl-2-(methylsulfanylmethyl)-3-oxidanidyl-4-phenyl-quinazolin-3-ium Openeye Name: 6-chloro-2-(methylsulfanylmethyl)-3-oxido-4-phenyl-quinazolin-3-ium CAS Name: 6-chloro-2-[(methylthio)methyl]-3-oxido-4-phenylquinazolin-3-ium IUPAC Name: 6-chloro-2-(methylsulfanylmethyl)-3-oxido-4-phenylquinazolin-3-ium Traditional Name: 6-chloro-2-[(methylthio)methyl]-3-oxido-4-phenyl-quinazolin-3-ium Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3

Isomeric SMILES

CSCC1=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13ClN2OS/c1-21-10-15-18-14-8-7-12(17)9-13(14)16(19(15)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3