6-chloranyl-3-[3-(dimethylazaniumyl)propyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-chloranyl-3-[3-(dimethylazaniumyl)propyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-chloro-3-[3-(dimethylammonio)propyl]-2-thioxo-quinazolin-4-olate CAS Name: 6-chloro-3-[3-(dimethylammonio)propyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-chloro-3-[3-(dimethylazaniumyl)propyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-chloro-3-[3-(dimethylammonio)propyl]-2-thioxo-quinazolin-4-olate Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=C2C=C(C=CC2=NC1=S)Cl)[O-]

Isomeric SMILES

C[NH+](C)CCCN1C(=C2C=C(C=CC2=NC1=S)Cl)[O-]

InChI

InChI=1S/C13H16ClN3OS/c1-16(2)6-3-7-17-12(18)10-8-9(14)4-5-11(10)15-13(17)19/h4-5,8,18H,3,6-7H2,1-2H3