2-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(4-methyl-3-oxido-2-quinazolin-3-iumyl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylthio]-1,3-benzothiazole Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C17H13N3OS2/c1-11-12-6-2-3-7-13(12)18-16(20(11)21)10-22-17-19-14-8-4-5-9-15(14)23-17/h2-9H,10H2,1H3