1-(6-chloranyl-3-oxidanidyl-4-phenyl-quinazolin-3-ium-2-yl)ethyl thiocyanate

Systemtic Name: 1-(6-chloranyl-3-oxidanidyl-4-phenyl-quinazolin-3-ium-2-yl)ethyl thiocyanate Openeye Name: 1-(6-chloro-3-oxido-4-phenyl-quinazolin-3-ium-2-yl)ethyl thiocyanate CAS Name: thiocyanic acid 1-(6-chloro-3-oxido-4-phenyl-2-quinazolin-3-iumyl)ethyl ester IUPAC Name: 1-(6-chloro-3-oxido-4-phenylquinazolin-3-ium-2-yl)ethyl thiocyanate Traditional Name: thiocyanic acid 1-(6-chloro-3-oxido-4-phenyl-quinazolin-3-ium-2-yl)ethyl ester Formula: C17H12ClN3OS MolecularWeight: 341.81468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)SC#N

Isomeric SMILES

CC(C1=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)SC#N

InChI

InChI=1S/C17H12ClN3OS/c1-11(23-10-19)17-20-15-8-7-13(18)9-14(15)16(21(17)22)12-5-3-2-4-6-12/h2-9,11H,1H3