2-(6-chloranyl-3-oxidanidyl-4-phenyl-quinazolin-3-ium-2-yl)-N,N-bis(methylsulfanyl)ethanethioamide

Systemtic Name: 2-(6-chloranyl-3-oxidanidyl-4-phenyl-quinazolin-3-ium-2-yl)-N,N-bis(methylsulfanyl)ethanethioamide Openeye Name: 2-(6-chloro-3-oxido-4-phenyl-quinazolin-3-ium-2-yl)-N,N-bis(methylsulfanyl)thioacetamide CAS Name: 2-(6-chloro-3-oxido-4-phenyl-2-quinazolin-3-iumyl)-N,N-bis(methylthio)ethanethioamide IUPAC Name: 2-(6-chloro-3-oxido-4-phenylquinazolin-3-ium-2-yl)-N,N-bis(methylsulfanyl)ethanethioamide Traditional Name: 2-(6-chloro-3-oxido-4-phenyl-quinazolin-3-ium-2-yl)-N,N-bis(methylthio)thioacetamide Formula: C18H16ClN3OS3 MolecularWeight: 421.98714

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Descriptors Computed from Structure

Canonical SMILES:

CSN(C(=S)CC1=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)SC

Isomeric SMILES

CSN(C(=S)CC1=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)SC

InChI

InChI=1S/C18H16ClN3OS3/c1-25-22(26-2)17(24)11-16-20-15-9-8-13(19)10-14(15)18(21(16)23)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3