5-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione Openeye Name: 5-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione CAS Name: 5-[(4-methyl-3-oxido-2-quinazolin-3-iumyl)methylthio]-3H-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione Traditional Name: 5-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylthio]-3H-1,3,4-thiadiazole-2-thione Formula: C12H10N4OS3 MolecularWeight: 322.429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=CC=CC=C12)CSC3=NNC(=S)S3)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=CC=CC=C12)CSC3=NNC(=S)S3)[O-]

InChI

InChI=1S/C12H10N4OS3/c1-7-8-4-2-3-5-9(8)13-10(16(7)17)6-19-12-15-14-11(18)20-12/h2-5H,6H2,1H3,(H,14,18)