3-butyl-2-tricyclohexylstannylsulfanyl-7-(trifluoromethyl)quinazolin-4-one

Systemtic Name: 3-butyl-2-tricyclohexylstannylsulfanyl-7-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-butyl-2-tricyclohexylstannylsulfanyl-7-(trifluoromethyl)quinazolin-4-one CAS Name: 3-butyl-2-(tricyclohexylstannylthio)-7-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-butyl-2-tricyclohexylstannylsulfanyl-7-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-butyl-2-(tricyclohexylstannylthio)-7-(trifluoromethyl)quinazolin-4-one Formula: C31H45F3N2OSSn MolecularWeight: 669.47201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(F)(F)F)N=C1S[Sn](C3CCCCC3)(C4CCCCC4)C5CCCCC5

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(F)(F)F)N=C1S[Sn](C3CCCCC3)(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C13H13F3N2OS.3C6H11.Sn/c1-2-3-6-18-11(19)9-5-4-8(13(14,15)16)7-10(9)17-12(18)20;3*1-2-4-6-5-3-1;/h4-5,7H,2-3,6H2,1H3,(H,17,20);3*1H,2-6H2;/q;;;;+1/p-1