2-dodecylsulfanyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-dodecylsulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-dodecylsulfanyl-3-phenyl-quinazolin-4-one CAS Name: 2-(dodecylthio)-3-phenyl-4-quinazolinone IUPAC Name: 2-dodecylsulfanyl-3-phenylquinazolin-4-one Traditional Name: 2-(laurylthio)-3-phenyl-quinazolin-4-one Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C26H34N2OS/c1-2-3-4-5-6-7-8-9-10-16-21-30-26-27-24-20-15-14-19-23(24)25(29)28(26)22-17-12-11-13-18-22/h11-15,17-20H,2-10,16,21H2,1H3