3-(6-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propyl-diethyl-azanium

Systemtic Name: 3-(6-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propyl-diethyl-azanium Openeye Name: 3-(6-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)propyl-diethyl-ammonium CAS Name: 3-(6-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl-diethylammonium IUPAC Name: 3-(6-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl-diethylazanium Traditional Name: 3-(6-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)propyl-diethyl-ammonium Formula: C15H21ClN3OS+ MolecularWeight: 326.86474

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=C(C=CC(=C2)Cl)NC1=S

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=C(C=CC(=C2)Cl)NC1=S

InChI

InChI=1S/C15H20ClN3OS/c1-3-18(4-2)8-5-9-19-14(20)12-10-11(16)6-7-13(12)17-15(19)21/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,21)/p+1